CAS 161787-73-1 3-Amino-1,1,1-trifluoro-4-methylpentan-2-ol (HCID 14503246)

基本情報

CAS: 161787-73-1
標準SMILES: CC(C)C(N)C(O)C(F)(F)F
InChIKey: CXXBVHOIDJALEU-UHFFFAOYSA-N
分子式: C6H12F3NO
平均分子量: 171.16 g/mol
単同位体質量: 171.08709849

名称と識別子

優先名称: 3-Amino-1,1,1-trifluoro-4-methylpentan-2-ol
IUPAC: 3-amino-1,1,1-trifluoro-4-methylpentan-2-ol

名称と別名

3-amino-1,1,1-trifluoro-4-methylpentan-2-ol161787-73-1RefChem:496647872-162-83-amino-1,1,1-trifluoro-4-methyl-2-pentanol(2S,3R)-3-Amino-1,1,1-trifluoro-4-methylpentan-2-ol182073-79-6SCHEMBL5704659RLA77850MFCD08691388AKOS009113647SY172232

名称をさらに表示

3-amino-4methyl-1,1,1-trifluoro-2-pentanolEN300-295723-amino-4-methyl-1,1,1-trifluoro-2-pentanolZ228589568

データベース識別子

CAS: 161787-73-1
PubChem CID: 14503246
EC Number: 872-162-8
Nikkaji: J3.782.659F

物性

構造計算による物性

XLogP: 1.2
極性表面積: 46.3 Å²
水素結合供与体数: 2
水素結合受容体数: 5
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 123

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.