基本情報
- CAS
118799-24-9- 標準SMILES
Cc1ccc(CN)n1C- InChIKey
KMUHAJOXPNPERW-UHFFFAOYSA-N- 分子式
- C7H12N2
- 平均分子量
- 124.18 g/mol
- 単同位体質量
- 124.10004839
名称と識別子
- 優先名称
- (1,5-dimethyl-1H-pyrrol-2-yl)methanamine
- IUPAC
- (1,5-dimethylpyrrol-2-yl)methanamine
名称と別名
(1,5-Dimethyl-1H-pyrrol-2-yl)methanamineRefChem:391474638-932-0118799-24-9(1,5-dimethyl-1H-pyrrol-2-yl)methylamine(1,5-dimethylpyrrol-2-yl)methanamineMFCD02180786[(1,5-dimethyl-1H-pyrrol-2-yl)methyl]amine1,5-Dimethyl-1H-pyrrole-2-methanamine1-(1,5-dimethyl-1H-pyrrol-2-yl)methanamine(1,5-dimethylpyrrol-2-yl)methylamine2-(Aminomethyl)-1,5-dimethyl-1H-pyrrole
名称をさらに表示
SCHEMBL241343orb3029995CHEMBL4547540KMUHAJOXPNPERW-UHFFFAOYSA-NHMS1787L07Fr14497ALBB-025062SBB012870
データベース識別子
- CAS
118799-24-9- PubChem CID
- 737232
- ChEMBL
CHEMBL4547540- EC Number
- 638-932-0
物性
構造計算による物性
- XLogP
- 0
- 極性表面積
- 31 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
- 1
- 重原子数
- 9
- 形式電荷
- 0
- 複雑度
- 92
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Hazard Classes and CategoriesSkin Corr. 1B (100%)；STOT SE 3 (50%)
関連反応
5 件
化合物ノート
読み込み中…