LY3295668

Tert-Butylamine

HCID 6385CAS 1919888-06-4

基本信息

标准SMILES
CC(C)(C)N
InChIKey
YBRBMKDOPFTVDT-UHFFFAOYSA-N
分子式
C4H11N
平均分子量
73.14 g/mol
单同位素质量
73.08914935

概述

Tert-butylamine appears as a clear colorless liquid with an ammonia-like odor. Flash point 70 °F. Less dense (at 6.2 lb / gal) than water. Vapors heavier than air. Toxic oxides of nitrogen produced during combustion.

名称与标识

首选名称
Tert-Butylamine
IUPAC
2-methylpropan-2-amine
中文名
LY3295668
英文名
LY3295668 (Synonyms: AK-01)
分子式
C24H26ClF2N5O2
分子量
489.95

名称与别名

tert-Butylamine75-64-92-methylpropan-2-aminet-ButylamineErbumine2-Amino-2-methylpropane2-Propanamine, 2-methyl-1,1-Dimethylethylamine1,1-Dimethylethanamine2-Aminoisobutane2-METHYL-2-PROPANAMINETERTIARY-BUTYLAMINE
展开更多名称
化合物AK-01化合物 T15815LY3295668/AK-01/1919888-06-4AK-01LY-3295668LY-3295668 ERBUMINETYRPHOSTIN 46,TYRPHOSTIN A46,TYRPHOSTIN B40(2R,4R)-1-[(3-氯-2-氟苯基)甲基]-4-[[3-氟-6-[(5-甲基-1H-吡唑-3-基)氨基]-2-吡啶基]甲基]-2-甲基-4-哌啶甲酸AK-01LY-3295668LY3295668 (AK-01)LY-3295668 erbumineLY3295668 (Synonyms: AK-01)LY3295668/AK-01/1919888-06-4(2R,4R)-1-(3-chloro-2-fluorobenzyl)-4-((3-fluoro-6-((5-methyl-1H-pyrazol-3-yl)amino)pyridin-2-yl)methyl)-2-methylpiperidine-4-carboxylic acid4-Piperidinecarboxylic acid, 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methyl]-2-methyl-, (2R,4R)-
Butylamine, tert2-Methyl-2-aminopropaneButylamine, tertiary2-Methyl-2-propylamineDTXSID5024681NSC-9571CP 1109391Z53KF68U

数据库标识

CAS
1919888-06-4、75-64-9
PubChem CID
6385
DTXSID
DTXSID5024681
ChEMBL
CHEMBL13782
ChEBI
CHEBI:44639
UNII
91Z53KF68U
EC Number
200-888-1
Nikkaji
J1.944E

性质

结构计算性质

XLogP
0.3
极性表面积
26 Ų
氢键供体
1
氢键受体
1
可旋转键
0
重原子
5

实验与物化性质

Chemical Classes · 2 条

Nitrogen Compounds -> Amines, Aliphatic

Corrosives

SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP · 2 条

log Kow = 0.40

0.4

OdorStrong amine odor
Density · 3 条

0.696 at 68 °F (USCG, 1999) - Less dense than water; will float

0.6958 at 20 °C/4 °C

0.7 @25 °C

Color/FormColorless liquid

物理化学性质

沸点
631.2 · 631.2±55.0 °C(Predicted)
密度
1.39 · 1.390±0.06 g/cm3(Predicted)
储存条件
-20 °C · Store at -20°C
溶解度
150 mg/mL · DMSO : 150 mg/mL (306.15 mM)
形态
Solid
酸度系数(pKa)
3.38 · 3.38±0.40(Predicted)

安全与法规

GHS分类

GHS Classification · 6 条

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 327 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

H402: Harmful to aquatic life [Hazardous to the aquatic environment, acute hazard]

P273, and P501 (click each P-code to see the statement)

危害信息

Regulatory Information · 5 条

Chemical: 2-Propanamine, 2-methyl-

2-Propanamine, 2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propanamine, 2-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 12-05-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/1916

2-Propanamine, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
DOT LabelCorrosive
Fire HazardsSpecial Hazards of Combustion Products: Toxic oxides of nitrogen may form in fire. (USCG, 1999)
Health HazardsInhalation causes irritation of nose, mouth, and lungs. Ingestion causes irritation of mouth and stomach. Contact with liquid causes severe irritation of eyes and moderate irritation of skin. (USCG, 1999)
Hazards SummaryHighly corrosive to skin; [Quick CPC] High inhalation exposure may cause pulmonary edema; [HSDB] A skin, eye, and respiratory tract irritant; [CAMEO]

安全与防护

Fire FightingExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
First Aid · 1 条

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Firefighting Hazards... Vapors /of 2-methyl-2-propanamine/ are heavier than air.
Exposure Control and Personal Protection2.0 [ppm]
Fire Fighting Procedures · 3 条

This chemical is a combustible liquid. Poisonous gases including nitrogen oxides are produced in fire. Use dry chemical, carbon dioxide, or alcohol foam extinguishers. Vapors are heavier than air and will collect in low areas. Vapors may travel long distances to ignition sources and flashback. Vapors in confined areas may explode when exposed to fire. Containers may explode in fire. Storage containers and parts of containers may rocket great distances, in many directions. If material or contaminated runoff enters waterways, notify downstream users of potentially contaminated waters. Notify local health and fire officials and pollution control agencies. Containers may explode in fire. From a secure, explosion-proof location, use water spray to cool exposed containers. If cooling streams are ineffective (venting sound increases in volume and pitch, tank discolors, or shows any signs of deforming), withdraw immediately to a secure position. If employees are expected to fight fires, they must be trained and equipped in OSHA 1910.156. /Butyl Amines/

If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use "alcohol" foam, dry chemical or carbon dioxide.

Wear self-contained breathing apparatus when fighting fires involving this material.

Storage ConditionsStore in a refrigerator. Keep under an inert atmosphere for long-term storage.

毒理信息

Ecotoxicity ValuesEC50; Species: Pseudokirchneriella subcapitata (Green algae); Conditions: freshwater, static; Concentration: 16000 ug/L for 96 hr; Effect: general growth
Environmental Fate · 3 条

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 40(SRC), determined from a log Kow of 0.40(2) and a regression-derived equation(3), indicates that tert-butylamine is expected to have very high mobility in soil(SRC). The pKa of tert-butylamine is 10.68(4), indicating that this compound will exist almost entirely in the cation form in the environment and cations generally adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5). Volatilization of tert-butylamine from moist soil surfaces is not expected to be an important fate process(SRC) given its cation state(SRC). tert-Butylamine is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(6). tert-Butylamine was biodegraded by aniline-acclimated activated sludge(7).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 40(SRC), determined from a log Kow of 0.40(2) and a regression-derived equation(3), indicates that tert-butylamine is not expected to adsorb to suspended solids and sediment(SRC). A pKa of 10.68(4) indicates tert-butylamine will exist almost entirely in the cation form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process(5). According to a classification scheme(6), an estimated BCF of 3(SRC), from its log Kow(2) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). tert-Butylamine was biodegraded by aniline-acclimated activated sludge(8).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), tert-butylamine, which has a vapor pressure of 372 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase tert-butylamine is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 33 hours(SRC), calculated from its rate constant of 1.18X10-11 cu cm/molecule-sec at 25 °C(3). tert-Butylamine does not contain chromophores that absorb at wavelengths >290 nm(4) and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).

Adverse EffectsDermatotoxin - Skin burns.
Ecotoxicity Excerpts · 1 条

/AQUATIC SPECIES/ The toxicity of amines to aquatic animals (Selenastrum capricornutum /Freshwater algae/ , Daphnia magna /Daphnid/, and Salmo gairdneri /Rainbow trout/) depended on their structure and was species-dependent. ... The integrated rating system (Canton and Sloof, 1979) was used for evaluation of the environmental hazard of these amines.

Plant Concentrationstert-Butylamine has been found to occur naturally in Latakia tobacco leaves(1).
Effluent Concentrationstert-Butylamine was detected in the leachate from a municipal refuse waste disposal site in the Netherlands at a concn of 41 ppm(1). tert-Butylamine was identified, not quantified, in the effluent of a cattle feed lot(2).

法规信息

Atmospheric Standards · 1 条

This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Tert-butylamine is produced, as an intermediate or a final product, by process units covered under this subpart.

CERCLA Reportable Quantities · 1 条

Persons in charge of vessels or facilities are required to notify the National Response Center (NRC) immediately, when there is a release of this designated hazardous substance, in an amount equal to or greater than its reportable quantity of 1000 lb or 454 kg. The toll free number of the NRC is (800) 424-8802. The rule for determining when notification is required is stated in 40 CFR 302.4 (section IV. D.3.b). [checked 5/2006]

Clean Water Act Requirements · 1 条

tert-Butylamine is designated as a hazardous substance under section 311(b)(2)(A) of the Federal Water Pollution Control Act and further regulated by the Clean Water Act Amendments of 1977 and 1978. These regulations apply to discharges of this substance. This designation includes any isomers and hydrates, as well as any solutions and mixtures containing this substance.

化学与工业

用途与制造

Uses · 3 条

Used as a chemical intermediate; [HSDB]

Intermediate for rubber accelerators, insecticides, fungicides, dyestuffs, pharmaceuticals.

Intermediate in the manufacture of lubricating oil additives and miscellaneous chemicals.

U.S. Production · 3 条

2023: 1,000,000 - <8,500,000 lb

Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#5271]

This chemical is listed as a High Production Volume (HPV) (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).

Industry UsesIntermediate
Methods of ManufacturingIsobutylene first reacts with sulfuric acid and then hydrogen cyanide to yield tert-butylformamide. Hydrolysis yields the amine.
Formulations/PreparationsGRADES: Technical
General Manufacturing Information · 3 条

All Other Basic Organic Chemical Manufacturing

2-Propanamine, 2-methyl-: ACTIVE

Aziridines are hydrogenated in the presence of typical hydrogenation catalysts to give alkyl amines.

试剂价格

S8782 · 5mg
1919888-06-4LY3295668 — 4087.77元
S8782 · 10mM (1mL in DMSO)
LY3295668 — 4832.1元

供应商50 家

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
山东科研制药有限公司13053388919

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