(1S,2R)-2-(tert-부톡시카르보닐아미노)시클로헥산카르복실산

(1S,2R)-2-(((tert-butoxy)carbonyl)amino)cyclohexane-1-carboxylic acid

HCID 1512489

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 63216-49-9
표준 SMILES: CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)O
InChIKey: QJEQJDJFJWWURK-DTWKUNHWSA-N
분자식: C12H21NO4
평균 분자량: 243.3 g/mol

이름 및 식별자

우선 이름: (1S,2R)-2-(((tert-butoxy)carbonyl)amino)cyclohexane-1-carboxylic acid
IUPAC: cis-(1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
현지명: (1S,2R)-2-(tert-부톡시카르보닐아미노)시클로헥산카르복실산
영어명: (1S,2R)-2-(tert-butoxycarbonylamino)cyclohexanecarboxylic acid
분자식: C12H21NO4
분자량: 243.3

이름 및 동의어

865689-36-7(1S,2R)-2-{[(tert-butoxy)carbonyl]amino}cyclohexane-1-carboxylic acidrac-(1R,2S)-2-{[(tert-butoxy)carbonyl]amino}cyclohexane-1-carboxylic acid(1S,2R)-2-(((tert-butoxy)carbonyl)amino)cyclohexane-1-carboxylic acidrac-(1R,2S)-2-(((tert-butoxy)carbonyl)amino)cyclohexane-1-carboxylic acidRefChem:393934834-867-9966-627-5(1S,2R)-2-tert-Butoxycarbonylamino-cyclohexanecarboxylic acidMFCD06410969(1S,2R)-Boc-2-aminocyclohexane carboxylic acid(1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid

이름 더 보기

(1S,2R)-2-(tert-부톡시카르보닐아미노)시클로헥산카르복실산N-Boc-(1S,2R)-2-aminocyclohexane-1-carboxylic acid(1S,2R)-Boc-2-aminocyclohexane carboxylic acid≥ 97% (Assay)(1S,2R)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclohexanecarboxylic acidCyclohexanecarboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (1S,2R)-

(1s,2r)-2-(tert-butoxycarbonylamino)cyclohexanecarboxylic acid(1S,2R)-2-((TERT-BUTOXYCARBONYL)AMINO)CYCLOHEXANE-1-CARBOXYLIC ACIDCyclohexanecarboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-,(1S,2R)-(1S,2R)-2-(Boc-amino)cyclohexanecarboxylic acid(1S,2R)-Boc-1,2-ACHC-OHBOC-CIS-2-AMINOCYCLOHEXANECARBOXYLIC ACIDcis-2-tert-Butoxycarbonylaminocyclohexanecarboxylic acidSCHEMBL1756657

데이터베이스 식별자

CAS: 63216-49-9、865689-36-7
PubChem CID: 1512489
EC Number: 834-867-9、966-627-5

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 75.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 17
형식 전하: 0
복잡도: 295

물리화학적 성질

녹는점: 118 · 118-123 °C
끓는 점: 396.7 · 396.7±31.0 °C(Predicted)
밀도: 1.12 · 1.12±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 4.86 · 4.86±0.44(Predicted)

화학적 성질

White powder

안전 및 규제

GHS 분류

GHS Classification · 6건

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.

Warning

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