tert-butyl N-(2-amino-2-phenylethyl)carbamate

HCID 2771847

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기본 정보

CAS: 174885-99-5
표준 SMILES: CC(C)(C)OC(=O)NCC(N)c1ccccc1
InChIKey: CLUUDOMFHPDBIR-UHFFFAOYSA-N
분자식: C13H20N2O2
평균 분자량: 236.31 g/mol

이름 및 식별자

우선 이름: tert-butyl N-(2-amino-2-phenylethyl)carbamate
IUPAC: tert-butyl N-(2-amino-2-phenylethyl)carbamate
영어명: (2-Amino-2-phenyl-ethyl)-carbamic acid tert-butyl ester
분자식: C13H20N2O2
분자량: 236.31

이름 및 동의어

174885-99-5tert-butyl N-(2-amino-2-phenylethyl)carbamateRefChem:895625971-926-9(2-Amino-2-phenyl-ethyl)-carbamic acid tert-butyl esterTERT-BUTYL (2-AMINO-2-PHENYLETHYL)CARBAMATE(2-Amino-2-phenylethyl)carbamic acid tert-butyl esterMFCD06245566Carbamic acid, N-(2-amino-2-phenylethyl)-, 1,1-dimethylethyl esterN-Boc-2-amino-2-phenylethylamineCarbamic acid, (2-amino-2-phenylethyl)-, 1,1-dimethylethyl ester(R)-(2-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACID TERT-BUTYL ESTER

이름 더 보기

TERT-BUTYL (2-AMINO-2-PHENYLETHYL)CARBAMATE Purity : Min97%(2-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACID TERT-BUTYL ESTER,97% min

tert-butyl (R)-(2-amino-2-phenylethyl)carbamateN1-Boc-2-phenyl-1,2-ethanediamine2-Methyl-2-propanyl (2-amino-2-phenylethyl)carbamateSCHEMBL3640547CLUUDOMFHPDBIR-UHFFFAOYSA-NAKOS005257264AB23604AB28568

데이터베이스 식별자

CAS: 174885-99-5
PubChem CID: 2771847
EC Number: 971-926-9

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 64.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 17
형식 전하: 0
복잡도: 242

물리화학적 성질

끓는 점: 375.2 · 375.2±35.0 °C(Predicted)
밀도: 1.066 · 1.066±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
산도 계수 (pKa): 12.29 · 12.29±0.46(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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.