rac-(R*)-2-アミノ-1-ブタノール
2-Amino-1-butanol
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基本情報
- CAS
13054-87-0- 標準SMILES
CCC(N)CO- InChIKey
JCBPETKZIGVZRE-UHFFFAOYSA-N- 分子式
- C4H11NO
- 平均分子量
- 89.14 g/mol
- 単同位体質量
- 89.08406397
概要
structure
名称と識別子
- 優先名称
- 2-Amino-1-butanol
- IUPAC
- 2-aminobutan-1-ol
- 現地名
- rac-(R*)-2-アミノ-1-ブタノール
- 英語名
- DL-2-Amino-1-butanol
- 分子式
- C4H11NO
- 分子量
- 89.14
名称と別名
2-Aminobutan-1-ol2-Amino-1-butanol96-20-82-Aminobutanol1-BUTANOL, 2-AMINO-2-Aminobutyl alcoholButanol-2-amine1-(Hydroxymethyl)propylamine2-Amino-1-hydroxybutaneN008Q02GPSNSC-1068DTXSID60859935
名称をさらに表示
rac-(R*)-2-アミノ-1-ブタノールrac-(R*)-2-アミノブタン-1-オールDL-2-アミノ-1-ブタノールrac-(S*)-2-アミノ-1-ブタノール(±)-2-アミノ-1-ブタノール2-azanylbutan-1-ol1-hydroxy-2-butanamineLABOTEST-BB LT01409643(+/-)-2-AMINO-1-BUTANOL1-Hydroxy-2-aminobutane1-hydroxy-sec-butylamine(±)-2-Amino-1-butanol,97%rac-(S*)-2-Amino-1-butanol
RefChem:85045DTXCID50209465202-488-2235-940-2DL-2-Amino-1-butanol13054-87-01-Hydroxy-2-butylamineaminobutanol
データベース識別子
- CAS
13054-87-0、96-20-8- PubChem CID
- 22129
- DTXSID
DTXSID60859935- ChEMBL
CHEMBL327032- UNII
- N008Q02GPS
- EC Number
- 202-488-2、235-940-2
- Nikkaji
- J35.181D
物性
構造計算による物性補完中
- XLogP
- -0.4
- 極性表面積
- 46.3 Ų
- 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
- 6
- 形式電荷
- 0
- 複雑度
- 30.7
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Amino Alcohols, Other
CosmeticsBuffering
SpringerMaterials PropertiesOptical coefficient
Vapor Pressure0.15 [mmHg]
Physical Description
Liquid
Liquid; [Merck Index] Colorless hygroscopic liquid with an amine-like odor; [Alfa Aesar MSDS]
物理化学的性質
- 融点
- -2 °C · -2 °C(lit.)
- 沸点
- 179 · 179-183 °C(lit.)
- 比重(密度)
- 0.944 g/mL · 0.944 g/mL at 20 °C(lit.)
- 屈折率
- 20 · n20/D 1.452
- 闪点
- 184 °F · 184 °F
- InChI
- InChI=1S/C4H11NO/c1-2-4(5)3-6/h4,6H,2-3,5H2,1H3
- InChIKey
- JCBPETKZIGVZRE-UHFFFAOYSA-N
- SMILES
- C(N)(CO)CC
- CAS データベース
- 13054 · 13054-87-0(CAS DataBase Reference)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 1.8% (5 of 277) of reports.
Danger
H302 (98.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 277 reports by companies from 10 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
Chemical: 1-Butanol, 2-amino-
1-Butanol, 2-amino- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanol, 2-amino- 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: 24-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/12299
2-Amino-1-butanol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 1-Butanol, 2-amino-: Human health tier II assessment
Hazards SummaryCauses burns; Harmful by ingestion; [ECHA REACH Registrations] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion; [Alfa Aesar MSDS]
Hazard Classes and Categories
Skin Corr. 1C (100%)
Acute Tox. 4 (98.2%)
Acute toxicity - category 4
安全と保護具
化学と産業
用途と製造
Uses
Used to make surface-active agents, vulcanization accelerators, and pharmaceuticals, and as an emulsifying agent for cosmetic creams and lotions, mineral oil and paraffin wax emulsions, leather dressings, textile specialties, polishes, cleaning compounds, and so-called soluble oils; [Merck Index] Used in metal working fluids, rolling oils, and cleaning agents; [ECHA REACH Registrations]
Metal Machining [Category: Heat or Machine]
U.S. Production2023: 389,812 lb
Consumer UsesStabilizing agent
Industry UsesStabilizing agent
Use ClassificationCosmetics -> Buffering
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1-Butanol, 2-amino-: ACTIVE
上流・下流製品情報
下流製品
関連反応
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