2-{[(Tert-butoxy)carbonyl]amino}-3-(oxan-4-yl)propanoic acid

HCID 2734406

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 182287-51-0
표준 SMILES: CC(C)(C)OC(=O)NC(CC1CCOCC1)C(=O)O
InChIKey: NKYZORHKIYSSEL-UHFFFAOYSA-N
분자식: C13H23NO5
평균 분자량: 273.33 g/mol
단동위원소 질량: 273.15762284

이름 및 식별자

우선 이름: 2-{[(Tert-butoxy)carbonyl]amino}-3-(oxan-4-yl)propanoic acid
IUPAC: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxan-4-yl)propanoic acid
영어명: 2-N-Boc-Amino-3-(4-tetrahydropyranyl)propionic acid
분자식: C13H23NO5
분자량: 273.33

이름 및 동의어

2-{[(tert-butoxy)carbonyl]amino}-3-(oxan-4-yl)propanoic acid2-(((tert-butoxy)carbonyl)amino)-3-(oxan-4-yl)propanoic acidRefChem:447115871-844-2182287-51-02-((tert-Butoxycarbonyl)amino)-3-(tetrahydro-2H-pyran-4-yl)propanoic acid2-Boc-3-(Tetrahydropyran-4-yl)-DL-alanineMFCD026831392-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxan-4-yl)propanoic Acid2-N-BOC-AMINO-3-(4-TETRAHYDROPYRANYL)PROPIONIC ACID2H-Pyran-4-propanoic acid, alpha-[[(1,1-dimethylethoxy)carbonyl]amino]tetrahydro-(2R)-2-{[(tert-Butoxy)carbonyl]amino}-3-(oxan-4-yl)propanoic acid

이름 더 보기

a-(Boc-amino)-tetrahydropyran-4-propanoic acid2-N-BOC-Amino-3-(4-tetrahydropyranyl)-propionsaeure2-N-BOC-Amino-3-(4-tetrahydropyranyl)propionic acid,95%2-N-BOC-AMINO-3-(4-TETRAHYDROPYRANYL) PROPIONIC ACID 95%[(TERT-BUTOXYCARBONYL)AMINO](TETRAHYDRO-2H-PYRAN-4-YL)ACETIC ACID2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxan-4-yl)propanoicaci2-N-(TERT-BUTOXYCARBONYL)-AMINO-3-(4-TETRAHYDROPYRANYL)PROPIONIC ACID

2-TERT-BUTOXYCARBONYLAMINO-3-(TETRAHYDRO-PYRAN-4-YL)-PROPIONIC ACIDN-(tert-Butoxycarbonyl)-3-oxan-4-ylalanineSCHEMBL16773DTXSID90370289NKYZORHKIYSSEL-UHFFFAOYSA-NTFC524162-(tert-butoxycarbonylamino)-3-tetrahydropyran-4-yl-propanoic acidAKOS013464744

데이터베이스 식별자

CAS: 182287-51-0
PubChem CID: 2734406
DTXSID: DTXSID90370289
EC Number: 871-844-2

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 84.9 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 6
무거운 원자 수: 19
형식 전하: 0
복잡도: 317

물리화학적 성질

끓는 점: 416.35 °C · 416.35°C (rough estimate)
밀도: 1.1321 · 1.1321 (rough estimate)
굴절률: 1.48 · 1.4800 (estimate)
산도 계수 (pKa): 3.94 · 3.94±0.10(Predicted)
물리적 상태: 울퉁불퉁한 고체
색상: 흰색에서 황백색까지

화학적 성질

white to off-white chunks

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

HS 번호: 29225000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26

화학 및 산업

공급사17 곳

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

上海沸柏化工科技有限公司021-58955608,2250286 15921236618 · [email protected]

赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]

苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]

화합물 노트

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