tert-butyl N-((2R)-1-hydroxypropan-2-yl)carbamate

HCID 13200309

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 106391-86-0
표준 SMILES: C[C@H](CO)NC(=O)OC(C)(C)C
InChIKey: PDAFIZPRSXHMCO-ZCFIWIBFSA-N
분자식: C8H17NO3
평균 분자량: 175.23 g/mol
단동위원소 질량: 175.1208434

이름 및 식별자

우선 이름: tert-butyl N-((2R)-1-hydroxypropan-2-yl)carbamate
IUPAC: tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate
영어명: N-Boc-D-alaninol
분자식: C8H17NO3
분자량: 175.23

이름 및 동의어

tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamatetert-butyl N-((2R)-1-hydroxypropan-2-yl)carbamate1,1-Dimethylethyl N-((1R)-2-hydroxy-1-methylethyl)carbamate1,1-Dimethylethyl N-[(1R)-2-hydroxy-1-methylethyl]carbamateRefChem:894876807-082-4BOC-D-ALANINOL106391-86-0N-Boc-D-alaninol(R)-2-(Boc-amino)-1-propanolMFCD00235912(R)-TERT-BUTYL (1-HYDROXYPROPAN-2-YL)CARBAMATE

이름 더 보기

tert-butyl (R)-1-hydroxypropan-2-ylcarbamateoc-D-AlaninolBayer Scheringd-BOC-AlaninolN-Boc-D-alaninoCAS:106391-86-0

tert-butyl N-[(1R)-2-hydroxy-1-methyl-ethyl]carbamatetert-butyl (R)-(1-hydroxypropan-2-yl)carbamateBoc-D-Ala-olTert-butyl [(2R)-1-hydroxypropan-2-yl]carbamate(R)-(+)-2-(tert-Butoxycarbonylamino)-1-propanol(R)-tert-butyl 1-hydroxypropan-2-ylcarbamateSY017521Carbamic acid, [(1R)-2-hydroxy-1-methylethyl]-, 1,1-dimethylethyl ester

데이터베이스 식별자

CAS: 106391-86-0
PubChem CID: 13200309
DTXSID: DTXSID70526964
EC Number: 807-082-4
Nikkaji: J2.369.619C

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 58.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 12
형식 전하: 0
복잡도: 151

물리화학적 성질

녹는점: 58 · 58-61 °C(lit.)
끓는 점: 276.4 · 276.4±23.0 °C(Predicted)
밀도: 1.025 · 1.025±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Sealed in dry,Store in freezer, under -20°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 12.11 · 12.11±0.46(Predicted)
색상: 흰색에서 황백색까지
주요 응용: 펩타이드 합성
InChI: InChI=1S/C8H17NO3/c1-6(5-10)9-7(11)12-8(2,3)4/h6,10H,5H2,1-4H3,(H,9,11)/t6-/m1/s1
InChIKey: PDAFIZPRSXHMCO-ZCFIWIBFSA-N
SMILES: C(OC(C)(C)C)(=O)N[C@H](C)CO

화학적 성질

White solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.