(R)-[1-(4-Amino-phenyl)-ethyl]-carbamic acid tert-butyl ester

HCID 10633571

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 255060-77-6
표준 SMILES: C[C@@H](NC(=O)OC(C)(C)C)c1ccc(N)cc1
InChIKey: COSXQRGJLFEFGJ-SECBINFHSA-N
분자식: C13H20N2O2
평균 분자량: 236.31 g/mol

이름 및 식별자

우선 이름: (R)-[1-(4-Amino-phenyl)-ethyl]-carbamic acid tert-butyl ester
IUPAC: tert-butyl N-[(1R)-1-(4-aminophenyl)ethyl]carbamate
영어명: (R)-[1-(4-AMINO-PHENYL)-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER
분자식: C13H20N2O2
분자량: 236.31

이름 및 동의어

262368-44-5Tert-butyl N-[(1R)-1-(4-aminophenyl)ethyl]carbamate(R)-tert-butyl 1-(4-aminophenyl)ethylcarbamatetert-Butyl (R)-(1-(4-aminophenyl)ethyl)carbamate(R)-[1-(4-AMINO-PHENYL)-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER(R)-tert-Butyl (1-(4-aminophenyl)ethyl)carbamate(S)-[1-(4-Amino-phenyl)-ethyl]-carbamic Acid tert-ButylesterSCHEMBL1627576COSXQRGJLFEFGJ-SECBINFHSA-N(S)-4-[1-(Boc-amino)ethyl]anilineCarbamic acid,N-[(1S)-1-(4-aminophenyl)ethyl]-, 1,1-dimethylethyl esterSY376248

이름 더 보기

(S)-[1-(4-AMINO-PHENYL)-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTERCarbamic acid, N-[(1R)-1-(4-aminophenyl)ethyl]-, 1,1-dimethylethyl ester

DB-120659CS-0167796F97562EN300-1086841(R)-4-(1-tert.butoxycarbonylamino-ethyl)-aniline(R)-tert-butyl(1-(4-aminophenyl)ethyl)carbamate

데이터베이스 식별자

CAS: 255060-77-6、262368-44-5
PubChem CID: 10633571
EC Number: 157-192-5、169-892-8

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 64.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 17
형식 전하: 0
복잡도: 253

물리화학적 성질

끓는 점: 390.5 · 390.5±25.0 °C(Predicted)
밀도: 1.073 · 1.073±0.06 g/cm3(Predicted)
산도 계수 (pKa): 12.36 · 12.36±0.46(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)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.