CAS 528882-16-8 tert-butyl N-(3-aminophenyl)-N-methylcarbamate (HCID 11492276)

基本情報

CAS: 528882-16-8
標準SMILES: CN(C(=O)OC(C)(C)C)c1cccc(N)c1
InChIKey: QCTXBRCQBZFXDX-UHFFFAOYSA-N
分子式: C12H18N2O2
平均分子量: 222.28 g/mol
単同位体質量: 222.13682782

名称と識別子

優先名称: tert-butyl N-(3-aminophenyl)-N-methylcarbamate
IUPAC: tert-butyl N-(3-aminophenyl)-N-methylcarbamate
現地名: 3-(N-TERT-ブチルトキシカルボニル-N-メチルアミノ)アニリン
英語名: 3-(N-TERT-BUTOXYCARBONYL-N-METHYLAMINO)ANILINE
分子式: C12H18N2O2
分子量: 222.28

名称と別名

tert-butyl N-(3-aminophenyl)-N-methylcarbamateRefChem:895908871-484-6528882-16-83-(N-TERT-BUTOXYCARBONYL-N-METHYLAMINO)ANILINEtert-butyl (3-aminophenyl)(methyl)carbamateMFCD13677178N1-Boc-N1-methylbenzene-1,3-diaminetert-butyl 3-aminophenyl(methyl)carbamate3-(N-Boc-N-methylamino)anilineTert-butyl N-(3-aminophenyl)-N-methyl-carbamateSCHEMBL3910121

名称をさらに表示

3-(N-TERT-ブチルトキシカルボニル-N-メチルアミノ)アニリンN-Methylbenzene-1,3-diamine, N-BOC protected(3-Aminophenyl)methylcarbamic acid tert-butyl ester3-(N-TERT-BUTOXYCARBONYL-N-METHYLAMINO)ANILINE (Related Reference)Carbamic acid, N-(3-aminophenyl)-N-methyl-, 1,1-dimethylethyl ester

(3-amino-phenyl)-methyl-carbamic acid tert-butyl ester3-N-Boc-N-methyl amino anilineDTXSID90467507QCTXBRCQBZFXDX-UHFFFAOYSA-NAKOS010549806CS-W007148DA-42195DS-14094

データベース識別子

CAS

物性

構造計算による物性

XLogP: 2
極性表面積: 55.6 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: 16
形式電荷: 0
複雑度: 248

物理化学的性質

貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.