N-((Phenylmethoxy)carbonyl)-L-serine methyl ester

HCID 6999535CAS 1676-81-9

기본 정보

표준 SMILES: COC(=O)[C@H](CO)NC(=O)OCc1ccccc1
InChIKey: CINAUOAOVQPWIB-JTQLQIEISA-N
분자식: C12H15NO5
평균 분자량: 253.25 g/mol
단동위원소 질량: 253.09502258

이름 및 식별자

우선 이름: N-((Phenylmethoxy)carbonyl)-L-serine methyl ester
IUPAC: methyl (2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate
영어명: N-Cbz-L-serine methyl ester
분자식: C12H15NO5
분자량: 253.25

이름 및 동의어

1676-81-9N-[(Phenylmethoxy)carbonyl]-L-serine Methyl EsterN-((Phenylmethoxy)carbonyl)-L-serine methyl esterRefChem:1090734Z-Ser-OMeN-Cbz-L-serine Methyl EsterN-Z-L-serine methyl esterMFCD00077039N-Carbobenzoxy-L-serine Methyl Estermethyl (2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoateCbz-L-Ser-OMemethyl (2S)-2-(benzyloxycarbonylamino)-3-hydroxy-propanoate

이름 더 보기

CBZ-SER-OMEZ-L-SER-OMEZ-SERINE-OMEZ-Ser-OMe (oil)Z-Ser-OMe (Syrup)Z-L-SERINE METHYL ESTER

Methyl ((benzyloxy)carbonyl)-L-serinatecbz-l-serine methyl esterN-Z-L-serine methyl ester, 95%N-Benzyloxycarbonyl-l-serine, methyl esterM06266Serine, N-[(phenylmethoxy)carbonyl]-, methyl ester(S)-Methyl 2-(((benzyloxy)carbonyl)amino)-3-hydroxypropanoateN-Z-L-serine meth

데이터베이스 식별자

CAS: 1676-81-9
PubChem CID: 6999535
DTXSID: DTXSID90426437
EC Number: 605-484-2
Nikkaji: J433.258J

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 84.9 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 7
무거운 원자 수: 18
형식 전하: 0
복잡도: 276

물리화학적 성질

녹는점: 41 · 41-43 °C(lit.)
끓는 점: 170 °C0.01 · 170 °C0.01 mm Hg(lit.)
밀도: 1.2499 · 1.2499 (rough estimate)
굴절률: -15 ° · -15 ° (C=1, MeOH)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름, 메탄올에 용해됨
산도 계수 (pKa): 10.49 · 10.49±0.46(Predicted)
물리적 상태: 점성 액체 또는 고체
색상: 옅은 노랑

화학적 성질

Clear Waxy 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)

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

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29242990
safety_code: 24/25

화학 및 산업

응용 분야 · 1건

용도N-Cbz-L-serine methyl ester is used to inhibit the activity of Mycobacterium tuberculosis in studies. Also used in the synthesis of pyrazinecarboxamide-based compounds acting as inhibitors of diacylglycerol acetyltransferases regarding treatment of obesity.