Methyl 4-(aminomethyl)benzoate

HCID 571728

ノート反応

データを補完しています。通常は 1 分以内に完了します

部分構造検索類似構造を探す

基本情報

CAS: 18469-52-8
標準SMILES: COC(=O)c1ccc(CN)cc1
InChIKey: AQBJGAUQEJFPKZ-UHFFFAOYSA-N
分子式: C9H11NO2
平均分子量: 165.19 g/mol

名称と識別子

優先名称: Methyl 4-(aminomethyl)benzoate
IUPAC: methyl 4-(aminomethyl)benzoate

名称と別名

Methyl 4-(aminomethyl)benzoateRefChem:815979870-396-518469-52-8MFCD00468795Benzoic acid, 4-(aminomethyl)-, methyl ester4-(aminomethyl)benzoic acid methyl esterMethyl 4-aminomethylbenzoatemethyl4-(aminomethyl)benzoateCHEMBL148986(4-methoxycarbonylphenyl)methylazanium78B

名称をさらに表示

8G24-Aminomethylbenzoic acid methyl esterEnamine_003267Methyl 4-(aminomethyl)methyl-4-aminomethylbenzoateOprea1_645037SCHEMBL184868methyl 4 (aminomethyl)benzoate

データベース識別子

CAS: 18469-52-8
PubChem CID: 571728
ChEMBL: CHEMBL148986
EC Number: 870-396-5
Nikkaji: J432.073E

物性

構造計算による物性補完中

XLogP: 1.2
極性表面積: 52.3 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 12
形式電荷: 0
複雑度: 151

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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.