CAS 102089-74-7 Carbamic acid, N-((1R)-2-hydroxy-1-phenylethyl)-, 1,1-dimethylethyl ester (HCID 7016461)

이름 및 식별자

우선 이름: Carbamic acid, N-((1R)-2-hydroxy-1-phenylethyl)-, 1,1-dimethylethyl ester
IUPAC: tert-butyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate
영어명: (R)-N-(tert-Butoxycarbonyl)-2-phenylglycinol
분자식: C13H19NO3
분자량: 237.29

이름 및 동의어

Carbamic acid, N-[(1R)-2-hydroxy-1-phenylethyl]-, 1,1-dimethylethyl esterCarbamic acid, N-((1R)-2-hydroxy-1-phenylethyl)-, 1,1-dimethylethyl ester1,1-Dimethylethyl N-((1R)-2-hydroxy-1-phenylethyl)carbamate1,1-Dimethylethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamateRefChem:573959600-273-1102089-74-7BOC-D-Phenylglycinol(R)-N-(tert-Butoxycarbonyl)-2-phenylglycinoltert-butyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate(R)-tert-butyl (2-hydroxy-1-phenylethyl)carbamateMFCD00274205

이름 더 보기

(R)-N-(tert-butoxycarbonyl)phenylglycinol(R)-tert-butyl 2-hydroxy-1-phenylethylcarbaMate(2-Hydroxy-1-phenyl-ethyl)-carbamic acid tert-butyl esterBOC-D-PHG-OLBoc-D-phenylglycolElagolix Impurity 10Boc-R-PhenylglycinolN-Boc-R-penylglycinolN-BOC-2-Phenylglycinol

(-)-N-Boc-D-alpha-phenylglycinoltert-butyl [(1R)-2-hydroxy-1-phenylethyl]carbamaten-boc-d-phenylglycinol(R)-2-(Boc-amino)-2-phenylethanolN-Boc-(R)-phenylglycinolG846LR8HDCN-Boc-alpha-D-phenylglycinolCarbamic acid, [(1R)-2-hydroxy-1-phenylethyl]-, 1,1-dimethylethyl ester

데이터베이스 식별자

CAS: 102089-74-7
PubChem CID: 7016461
DTXSID: DTXSID00426847
UNII: G846LR8HDC
EC Number: 600-273-1
Nikkaji: J756.440F

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 58.6 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

녹는점: 137 · 137-139 °C(lit.)
끓는 점: 382.4 · 382.4±35.0 °C(Predicted)
밀도: 1.101 · 1.101±0.06 g/cm3(Predicted)
증기압: 0 · 0-70Pa at 20-50℃
저장 조건: Sealed in dry,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 11.55 · 11.55±0.46(Predicted)
물리적 상태: 고체
색상: 흰색에서 황백색까지
BRN: 4688248 · 4688248
주요 응용: 펩타이드 합성
InChI: InChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14-11(9-15)10-7-5-4-6-8-10/h4-8,11,15H,9H2,1-3H3,(H,14,16)/t11-/m0/s1
InChIKey: IBDIOGYTZBKRGI-NSHDSACASA-N
SMILES: C(OC(C)(C)C)(=O)N[C@H](C1=CC=CC=C1)CO
LogP: 1.59 · 1.59

화학적 성질

white to light yellow crystal powde

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.

Warning

H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H373 (33.3%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]；H412 (33.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P260, P261, P271, P273, P304+P340, P317, P319, 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.；Reported as not meeting GHS hazard criteria per 2 of 3 reports by companies.；There is 1 notification provided by 1 of 3 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.