3-(N-TERT-BUTOXYCARBONYL-N-METHYLAMINO)아닐린

tert-butyl N-(3-aminophenyl)-N-methylcarbamate

HCID 11492276

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 528882-16-8
표준 SMILES: CN(C(=O)OC(C)(C)C)c1cccc(N)c1
InChIKey: QCTXBRCQBZFXDX-UHFFFAOYSA-N
분자식: C12H18N2O2
평균 분자량: 222.28 g/mol
단동위원소 질량: 222.13682782

이름 및 식별자

우선 이름: tert-butyl N-(3-aminophenyl)-N-methylcarbamate
IUPAC: tert-butyl N-(3-aminophenyl)-N-methylcarbamate
현지명: 3-(N-TERT-BUTOXYCARBONYL-N-METHYLAMINO)아닐린
영어명: 3-(N-TERT-BUTOXYCARBONYL-N-METHYLAMINO)ANILINE
분자식: C12H18N2O2
분자량: 222.28

이름 및 동의어

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

이름 더 보기

3-(N-TERT-BUTOXYCARBONYL-N-METHYLAMINO)아닐린N-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

데이터베이스 식별자

CAS: 528882-16-8
PubChem CID: 11492276
DTXSID: DTXSID90467507
EC Number: 871-484-6

물성

구조 계산 물성

XLogP: 2
극성 표면적: 55.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 248

물리화학적 성질

저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C

안전 및 규제

GHS 분류

GHS Classification · 5건

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.