(1R,2S)-BOC-2-아미노사이클로헥산카르복실산

cis-2-((tert-Butoxycarbonyl)amino)cyclohexanecarboxylic acid

HCID 1512487

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 352356-38-8
표준 SMILES: CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1C(=O)O
InChIKey: QJEQJDJFJWWURK-BDAKNGLRSA-N
분자식: C12H21NO4
평균 분자량: 243.3 g/mol

개요

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이름 및 식별자

우선 이름: cis-2-((tert-Butoxycarbonyl)amino)cyclohexanecarboxylic acid
IUPAC: cis-(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
현지명: (1R,2S)-BOC-2-아미노사이클로헥산카르복실산
영어명: (1R,2S)-Boc-2-aminocyclohexane carboxylic acid
분자식: C12H21NO4
분자량: 243.3

이름 및 동의어

63216-49-9352356-38-8Boc-1,2-cis-ACHC-OH(1R,2S)-Boc-Achccis-2-((tert-Butoxycarbonyl)amino)cyclohexanecarboxylic acid(1R,2S)-Boc-2-aminocyclohexane carboxylic acidcis-2-(tert-Butoxycarbonylamino)cyclohexanecarboxylic acid(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acidMFCD06410968(1R,2S)-2-((tert-Butoxycarbonyl)amino)cyclohexanecarboxylic acid(1R,2S)-2-{[(tert-butoxy)carbonyl]amino}cyclohexane-1-carboxylic acid(1R,2S)-2-((tert-Butoxycarbonyl)amino)cyclohexane-1-carboxylicacid

이름 더 보기

(1R,2S)-BOC-2-아미노사이클로헥산카르복실산Boc-1,2-ACHC-OH(1R,2S)N-Boc-(1R,2S)-2-aminocyclohexane-1-carboxylic acid(1R,2S)-2-(tert-butoxycarbonyl)cyclohexanecarboxylic acid(1R,2S)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclohexanecarboxylic acid(1R,2S)-2-((tert-Butoxycarbonyl)amino)cyclohexane-1-carboxylicacid - [B88546]

cis-2-(Boc-amino)-cyclohexanecarboxylic acidBOC-CIS-2-AMINOCYCLOHEXANECARBOXYLIC ACID(1R,2S)-2-((TERT-BUTOXYCARBONYL)AMINO)CYCLOHEXANE-1-CARBOXYLIC ACID(1R,2S)-2-(Boc-amino)cyclohexanecarboxylic acidcis-2-tert-Butoxycarbonylamino-cyclohexanecarboxylic acid(1R,2S)-2-tert-Butoxycarbonylamino-cyclohexanecarboxylic acid(1r,2s)-2-[(tert-butoxycarbonyl)amino]cyclohexanecarboxylic acidCIS-1-(T-BUTYLOXYCARBONYLAMINO)-CYCLOHEXYL-2-CARBOXYLIC ACID

데이터베이스 식별자

CAS: 352356-38-8
PubChem CID: 1512487
EC Number: 180-379-8

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

끓는 점: 396.7 · 396.7±31.0 °C(Predicted)
밀도: 1.12 · 1.12±0.1 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 4.86 · 4.86±0.44(Predicted)

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.