CAS 579474-49-0 1,1-Dimethylethyl N-(2-amino-4-chlorophenyl)carbamate (HCID 57456272)

기본 정보

CAS: 579474-49-0
표준 SMILES: CC(C)(C)OC(=O)Nc1ccc(Cl)cc1N
InChIKey: RAAXZOKVGWKKCP-UHFFFAOYSA-N
분자식: C11H15ClN2O2
평균 분자량: 242.7 g/mol
단동위원소 질량: 242.0822054

이름 및 식별자

우선 이름: 1,1-Dimethylethyl N-(2-amino-4-chlorophenyl)carbamate
IUPAC: tert-butyl N-(2-amino-4-chlorophenyl)carbamate
현지명: (2-아미노-4-클로로-페닐)-탄소산TERT-BUTYL에스테르
영어명: (2-Amino-4-chloro-phenyl)-carbamic acid tert-butyl ester
분자식: C11H15ClN2O2
분자량: 242.7

이름 및 동의어

579474-49-01,1-Dimethylethyl N-(2-amino-4-chlorophenyl)carbamateRefChem:213999tert-Butyl (2-amino-4-chlorophenyl)carbamate(2-Amino-4-chloro-phenyl)-carbamic acid tert-butyl esterMFCD09701244tert-butyl N-(2-amino-4-chlorophenyl)carbamatetert-butyl 2-amino-4-chlorophenylcarbamateSCHEMBL551648SCHEMBL30485007RAAXZOKVGWKKCP-UHFFFAOYSA-NDTXSID701212291

이름 더 보기

(2-아미노-4-클로로-페닐)-탄소산TERT-BUTYL에스테르Carbamic acid, N-(2-amino-4-chlorophenyl)-, 1,1-dimethylethyl ester

SB37774DB-309700CS-0273183tert-Butyl(2-amino-4-chlorophenyl)carbamateF80186EN300-1879967tert-butyl N-(2-amino-4-chloro-phenyl)carbamate(2-Amino-4-chloro-phenyl)-carbamic acid t-butyl ester

데이터베이스 식별자

CAS: 579474-49-0
PubChem CID: 57456272
DTXSID: DTXSID701212291
EC Number: 809-463-0

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 64.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 253

물리화학적 성질

끓는 점: 312 · 312.0±32.0 °C(Predicted)
밀도: 1.259 · 1.259±0.06 g/cm3(Predicted)
산도 계수 (pKa): 12.6 · 12.60±0.70(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.