基本情報
- CAS
104340-39-8- 標準SMILES
CN(C)c1ccccc1CCl.Cl- InChIKey
NDGRHDGMNRMJOP-UHFFFAOYSA-N- 分子式
- C9H13Cl2N
- 平均分子量
- 206.11 g/mol
- 単同位体質量
- 205.04250478
名称と識別子
- 優先名称
- 2-(chloromethyl)-N,N-dimethylaniline hydrochloride
- IUPAC
- 2-(chloromethyl)-N,N-dimethylaniline;hydrochloride
名称と別名
2-(chloromethyl)-N,N-dimethylaniline hydrochlorideRefChem:460352861-255-9104340-39-82-(chloromethyl)-N,N-dimethylaniline;hydrochlorideSCHEMBL8657787SCHEMBL9266349DTXSID40543209NDGRHDGMNRMJOP-UHFFFAOYSA-NEEA34039AT332412-dimethylaminobenzylchloride hydrochloride
名称をさらに表示
2-dimethylaminobenzyl chloride hydrochlorideEN300-84314(2-chloromethylphenyl)dimethylammonium chloride(2-chloromethylphenyl)-dimethylammonium chloride2-(chloromethyl)-N,N-dimethylanilinehydrochloride2-(Chloromethyl)-N,N-dimethylaniline--hydrogen chloride (1/1)Benzenamine, 2-(chloromethyl)-N,N-dimethyl-, hydrochloride (1:1)
データベース識別子
- CAS
104340-39-8- PubChem CID
- 13537426
- DTXSID
DTXSID40543209- EC Number
- 861-255-9
物性
構造計算による物性
- 極性表面積
- 3.2 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 1
- 回転可能結合数
- 2
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 114
安全と法規制
GHS分類
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 4 (100%)
関連反応
16 件
化合物ノート
読み込み中…