3-Amino-2-butenenitrile

HCID 70699CAS 1118-61-2

基本情報

標準SMILES: CC(N)=CC#N
InChIKey: DELJOESCKJGFML-UHFFFAOYSA-N
分子式: C4H6N2
平均分子量: 82.1 g/mol
単同位体質量: 82.05309819

名称と識別子

優先名称: 3-Amino-2-butenenitrile
IUPAC: 3-aminobut-2-enenitrile

名称と別名

3-Aminocrotononitrile1118-61-22-Butenenitrile, 3-amino-DTXSID30615083-Amino-2-butenenitrileRefChem:1067293DTXCID6033243214-266-2AI3-524473-aminobut-2-enenitrile3-Amino-but-2-enenitrile3-amino-2-butene nitrile

名称をさらに表示

SCHEMBL294654AKOS028108312DB-041015

データベース識別子

CAS: 1118-61-2
PubChem CID: 70699
DTXSID: DTXSID3061508
EC Number: 214-266-2

物性

構造計算による物性

XLogP: -0.1
極性表面積: 49.8 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 6
形式電荷: 0
複雑度: 104

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Nitriles

Physical DescriptionSlightly yellow flakes; [MSDSonline]

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H300 (77.4%): Fatal if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P272, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P333+P317, P337+P317, P361+P364, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 84 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazards SummaryAn irritant; A lachrymator; High concentrations can cause serious injury to skin, eyes, mucous membranes, and upper respiratory tract; [MSDSonline] See NITRILES.

Hazard Classes and CategoriesAcute Tox. 2 (77.4%)