4α,4'α-メチレンビス(1α-シクロヘキサンアミン)

4,4'-Diaminodicyclohexylmethane

HCID 15660CAS 1761-71-3

部分構造検索類似構造を探す

基本情報

標準SMILES: NC1CCC(CC2CCC(N)CC2)CC1
InChIKey: DZIHTWJGPDVSGE-UHFFFAOYSA-N
分子式: C13H26N2
平均分子量: 210.36 g/mol
単同位体質量: 210.20959883

概要

Yellowish white liquid or brown solid paste. (NTP, 1992)

名称と識別子

優先名称: 4,4'-Diaminodicyclohexylmethane
IUPAC: 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine
現地名: 4,4'-メチレンビス(シクロヘキシルアミン) (異性体混合物)
英語名: 4,4'-Diaminodicyclohexyl methane
分子式: C13H26N2
分子量: 210.36

名称と別名

1761-71-34,4'-Methylenedicyclohexanamine4,4'-Diaminodicyclohexylmethane4,4'-Methylenebis(cyclohexylamine)Bis(4-aminocyclohexyl)methane4,4'-Diaminodicyclohexyl methaneWandamin HMCyclohexanamine, 4,4'-methylenebis-Bis(p-aminocyclohexyl)methanePACM 20HLR 4219Cyclohexylamine, 4,4'-methylenebis-

名称をさらに表示

4,4'-メチレンビス(シクロヘキシルアミン) (異性体混合物)4,4'-メチレンビス(シクロヘキサン-1-アミン)ビス(4-アミノシクロヘキシル)メタンジアミノジシクロヘキシルメタン4,4'-メチレンビス(1-シクロヘキサンアミン)4,4'-メチレンビスシクロヘキサンアミン4,4'-メチレンビス(1-アミノシクロヘキサン)1,1'-メチレンビス(4-シクロヘキサンアミン)4-[(4-アミノシクロヘキシル)メチル]シクロヘキシルアミン4,4'-メチレンビス(シクロヘキサンアミン)4,4'-メチレンジ(シクロヘキサンアミン)(4,4'-メチレンビスシクロヘキサン)-1,1'-ジアミン4,4'-メチレンビス(シクロヘキシルアミン)ビス（４アミノシクロヘキシル）メタン4,4'-ジアミノジシクロヘキシルメタン (異性体混合物)4,4'-メチレンビス(アミノシクロヘキサン) (異性体混合物)ビス(4-アミノシクロヘキシル)メタン (異性体混合物)4,4-メチレンビスシクロヘキシルアミン4,4'-メチレンジシクロヘキサンアミン4,4′-メチレン-ビス(シクロヘキシルアミン)POLYLINK PACMPACM20DICYKANDIAMINODICYCLOHEXYLMETHANE4,4'-methylenebis(cyclohexan-1-amine)

p,p'-Diaminodicyclohexylmethane4,4'-MethylenedicyclohexylamineDTXSID0024921Methylenebis(4-aminocyclohexane)1,4-Bis(aminocyclohexyl)methane4,4'-MethylenedicyclohexaneamineDI(P-AMINOCYCLOHEXYL)METHANEHLR 4448

データベース識別子

CAS: 1761-71-3、6693-29-4、6693-30-7、6693-31-8
PubChem CID: 15660
DTXSID: DTXSID0024921
ChEMBL: CHEMBL1492978
UNII: AR21XLU05L、B16001JGEW、H8V09V2RM3
EC Number: 217-168-8、229-737-8、229-738-3、229-739-9
Nikkaji: J298.069J、J298.070C、J298.071A、J47.629C

物性

構造計算による物性

XLogP: 1.9
極性表面積: 52 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 15
形式電荷: 0
複雑度: 157

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Amines, Cyclic

Density0.9608 at 77 °F (NTP, 1992) - Less dense than water; will float

SolubilityInsoluble (<1 mg/ml) (NTP, 1992)

Flash Point · 2 件

greater than 200 °F (NTP, 1992)

Flash point > 200 °F

Boiling Point626 to 628 °F at 3 mmHg (NTP, 1992)

Melting Point140-143.6 °F (cis-cis) 147.2-149 °F (trans-trans) (NTP, 1992)

物理化学的性質

融点: 60 · 60-65°C
沸点: 330 · 330-331°C
比重(密度): 0.95 g/mL · 0.95 g/mL at 25 °C(lit.)
蒸気圧: 0.1 mm · <0.1 mm Hg ( 38 °C)
屈折率: 1.5032 · 1.5032 (estimate)
闪点: 230 °F · >230 °F
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: Chloroform (Slightly), Methanol (Slightly)
外見: powder to lump to clear liquid
酸解離定数(Pka): 10.87 · 10.87±0.70(Predicted)
色: White or Colorless to Almost white or Almost colorless
臭い (Odor): Ammonia odor
水溶解度: 不溶性 (<0.1 g/100 mL)
BRN: 2079179 · 2079179
InChI: 1S/C13H26N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h10-13H,1-9,14-15H2
InChIKey: DZIHTWJGPDVSGE-UHFFFAOYSA-N
SMILES: NC1CCC(CC1)CC2CCC(N)CC2
LogP: 2.03 at · 2.03 at 25℃
CAS データベース: 1761 · 1761-71-3(CAS DataBase Reference)
NISTの化学物質情報: 4 · Cyclohexanamine, 4,4'-methylenebis-(1761-71-3)
EPAの化学物質情報: 4 · 4,4'-Methylenebis(cyclohexylamine) (1761-71-3)

化学的性質

化学的特性Beige solidified mass or fragments

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 2.3% (29 of 1269) of reports.

Danger

H302 (97.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P333+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1269 reports by companies from 42 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

危険有害性情報

Regulatory Information · 4 件

Chemical: Cyclohexanamine, 4,4'-methylenebis-

Cyclohexanamine, 4,4'-methylenebis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanamine, 4,4'-methylenebis- 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: 09-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14320

Cyclohexanamine, 4,4'-methylenebis-: HSNO Approval: HSR003552 Approved with controls

Other Safety InformationEvaluation - Cyclohexanamine, 4,4'-methylenebis-

DOT LabelCorrosive

Fire HazardsThis chemical is probably combustible. (NTP, 1992)

Health HazardsACUTE/CHRONIC HAZARDS: This compound is corrosive. (NTP, 1992)

Hazards SummaryCorrosive to skin; [Quick CPC] Causes burns; Harmful if swallowed; [MSDSonline]

安全と保護具

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

First Aid · 1 件

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.

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: If you spill this chemical, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:

Personal Protective Equipment (PPE)MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves.

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

Toxicity DataLC50 (mice) = 400 mg/m3/4h

安全データ

F: 10-34
wgk: 2
tsca: TSCA listed
rtecs: GX1530000
ridadr: UN 2928 6.1/PG 2
毒性: LC50 inhalation in mouse: 400mg/m3/4H
hs_code: 29213000
risk_code: 26-34-51/53-48/22-43-35-22
化審法: (3)-2272, (4)-101
hazard_code: T+,N,C
safety_code: 26-28-36/37/39-45-61-50-14
hazard_class: 8
packing_group: III
環境リスク評価: ビス(4-アミノシクロヘキシル)メタン(1761-71-3)
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 2Skin Corr. 1BSkin Sens. 1STOT RE 2 Oral
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

用途と製造

U.S. Production2023: 25,000,000 - <40,000,000 lb

Consumer UsesNot Known or Reasonably Ascertainable

Industry UsesViscosity modifiers

General Manufacturing Information · 5 件

Wholesale and Retail Trade

Cyclohexanamine, 4,4'-methylenebis-: ACTIVE

Cyclohexanamine, 4,4'-methylenebis-, (trans,trans)-: ACTIVE

Cyclohexanamine, 4,4'-methylenebis-, (cis,trans)-: ACTIVE

Cyclohexanamine, 4,4'-methylenebis-, (cis,cis)-: INACTIVE

応用分野 · 3 件

説明4,4'-Diaminodicyclohexyl methane is a sodium salt of a cyclic anhydride that is used as a specific treatment for removing dodecanedioic acid from fatty acids. The reaction solution is stable at pH 4-5 and has a viscosity of less than 1000 cps. It has good stability in the presence of amines and can be used in chromatographic science, including chromatography and gas-liquid chromatography. The UV absorption maxima for the acid complex are 195 nm and 240 nm.

使用4,4'-Diaminodicyclohexyl methane be used as organic intermediates and epoxy curing agents.

一般的な説明Yellowish white liquid or brown solid paste.