N-メチル-2-フェノキシエタンアミン

Methyl(2-phenoxyethyl)amine

HCID 37732

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 37421-04-8
標準SMILES: CNCCOc1ccccc1
InChIKey: GUMBNOITRNRLCS-UHFFFAOYSA-N
分子式: C9H13NO
平均分子量: 151.21 g/mol
単同位体質量: 151.09971404

名称と識別子

優先名称: Methyl(2-phenoxyethyl)amine
IUPAC: N-methyl-2-phenoxyethanamine
現地名: N-メチル-2-フェノキシエタンアミン
英語名: n-methyl-2-phenoxy-ethylamin
分子式: C9H13NO
分子量: 151.21

名称と別名

Methyl(2-Phenoxyethyl)AmineRefChem:818383679-325-0N-methyl-2-phenoxyethanamine37421-04-8N-Methyl-2-phenoxyethylamineN-Methyl-2-phenoxy-ethanamineMethyl-(2-phenoxy-ethyl)-amineMFCD00085690N-Methyl-2-phenoxyethan-1-amineETHYLAMINE, N-METHYL-2-PHENOXY-CHEMBL136311

名称をさらに表示

N-メチル-2-フェノキシエタンアミンN-メチル-2-フェノキシエチルアミンn-methyl-2-phenoxy-ethylaminn-methyl-2-phenoxy-ethanaminN-methyl-2-phenoxyethanamine hydrochloridemethyl-(2-phenoxyethyl)amine hydrochlorideN-methyl-2-phenoxy-ethanamine hydrochlorideN-methyl-2-phenoxyethanamine(SALTDATA: FREE)

methyl(2-phenoxyethyl)amine hydrochlorideEthanamine, N-methyl-2-phenoxy-N-methyl-N-(2-phenoxyethyl)aminealpha-Phenoxy-beta-methylaminoethaneBRN 2357146NSC165619N-methyl-N-phenoxyethylamineSCHEMBL595753

データベース識別子

CAS: 37421-04-8
PubChem CID: 37732
DTXSID: DTXSID30190862
ChEMBL: CHEMBL136311
EC Number: 679-325-0
Nikkaji: J925.634B

物性

構造計算による物性

XLogP: 1.4
極性表面積: 21.3 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: 4
重原子数: 11
形式電荷: 0
複雑度: 89.6

物理化学的性質

沸点: 236.4 · 236.4±23.0 °C(Predicted)
比重(密度): 0.973 · 0.973±0.06 g/cm3(Predicted)
酸解離定数(Pka): 9.23 · 9.23±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (11.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.