tert-부틸3-하이드록시-4-메틸페닐카바메이트

tert-butyl N-(3-hydroxy-4-methylphenyl)carbamate

HCID 44668374

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 345893-26-7
표준 SMILES: Cc1ccc(NC(=O)OC(C)(C)C)cc1O
InChIKey: DXXABMONDYMFCC-UHFFFAOYSA-N
분자식: C12H17NO3
평균 분자량: 223.27 g/mol

이름 및 식별자

우선 이름: tert-butyl N-(3-hydroxy-4-methylphenyl)carbamate
IUPAC: tert-butyl N-(3-hydroxy-4-methylphenyl)carbamate
현지명: tert-부틸3-하이드록시-4-메틸페닐카바메이트
영어명: tert-butyl 3-hydroxy-4-methylphenylcarbamate
분자식: C12H17NO3
분자량: 223.27

이름 및 동의어

345893-26-7tert-butyl N-(3-hydroxy-4-methylphenyl)carbamateRefChem:895979843-407-6tert-butyl (3-hydroxy-4-methylphenyl)carbamate5-(Boc-amino)-2-methylphenolMFCD20414278Carbamic acid, (3-hydroxy-4-methylphenyl)-, 1,1-dimethylethyl estertert-butyl(3-hydroxy-4-methylphenyl)carbamatetert-butyl 3-hydroxy-4-methylphenylcarbamateSCHEMBL4945924DXXABMONDYMFCC-UHFFFAOYSA-N

이름 더 보기

tert-부틸3-하이드록시-4-메틸페닐카바메이트Carbamic acid, N-(3-hydroxy-4-methylphenyl)-, 1,1-dimethylethyl ester

VNA89326AC7985AKOS014122577AS-3152DA-42690SY151296CS-0160388t-Butyl (3-hydroxy-4-methylphenyl)carbamate

데이터베이스 식별자

CAS: 345893-26-7
PubChem CID: 44668374
EC Number: 843-407-6

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 58.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 247

물리화학적 성질

끓는 점: 298.6 · 298.6±33.0 °C(Predicted)
밀도: 1.155 · 1.155±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
산도 계수 (pKa): 10.04 · 10.04±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): 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)

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