4-(BOC-아미노)사이클로헥산카르복실산

4-(((Tert-butoxy)carbonyl)amino)cyclohexane-1-carboxylic acid

HCID 2755996

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 130309-46-5
표준 SMILES: CC(C)(C)OC(=O)NC1CCC(C(=O)O)CC1
InChIKey: KXMRDHPZQHAXML-UHFFFAOYSA-N
분자식: C12H21NO4
평균 분자량: 243.3 g/mol
단동위원소 질량: 243.14705815

개요

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이름 및 식별자

우선 이름: 4-(((Tert-butoxy)carbonyl)amino)cyclohexane-1-carboxylic acid
IUPAC: 4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
현지명: 4-(BOC-아미노)사이클로헥산카르복실산
영어명: 4-(Boc-amino)cyclohexanecarboxylic acid
분자식: C12H21NO4
분자량: 243.3

이름 및 동의어

4-(Boc-amino)cyclohexanecarboxylic Acid4-{[(tert-butoxy)carbonyl]amino}cyclohexane-1-carboxylic acid4-(((Tert-butoxy)carbonyl)amino)cyclohexane-1-carboxylic acidRefChem:508733688-955-5688-975-453292-89-053292-90-3130309-46-5trans-4-(Boc-amino)cyclohexanecarboxylic acidcis-4-(Boc-amino)cyclohexanecarboxylic acidBoc-1,4-Trans-ACHC-OH

이름 더 보기

4-(BOC-아미노)사이클로헥산카르복실산4-N-BOC-AMINOCYCLOHEXANE CARBOXYLIC ACID4-Aminocyclohexane-1-carboxylic acid, N-BOC protected1-(t-Butyloxycarbonylamino)cyclohexyl-4-carboxylic acid4-Aminocyclohexane-1-carboxylic acid, N-BOC protected 98%4-[(tert-Butoxycarbonyl)amino]cyclohexane-1-carboxylic acid4-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclohexanecarboxylic acidCyclohexanecarboxylicacid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid

4-((tert-Butoxycarbonyl)amino)cyclohexanecarboxylic acidcis-4-(tert-Butoxycarbonylamino)cyclohexanecarboxylic AcidBoc-trans-4-Aminocyclohexanecarboxylic acidtrans-4-(tert-Butoxycarbonylamino)cyclohexanecarboxylic Acidcis-4-((tert-Butoxycarbonyl)amino)cyclohexanecarboxylic acid4-tert-butoxycarbonylamino-cyclohexanecarboxylic acid4-(tert-Butoxycarbonylamino)cyclohexanecarboxylic AcidBOC-TRANS-4-AMINOCYCLOHEXANE-1-CARBOXYLIC ACID

데이터베이스 식별자

CAS: 130309-46-5、53292-89-0、53292-90-3
PubChem CID: 2755996
DTXSID: DTXSID50967876
EC Number: 688-955-5、688-975-4
Nikkaji: J2.834.143A、J3.151.605F、J3.151.606D

물성

구조 계산 물성

XLogP: 1.7
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: 287

물리화학적 성질

끓는 점: 396.7 · 396.7±31.0 °C(Predicted)
밀도: 1.12 · 1.12
저장 조건: 2 · 2-8°C
용해도: 메탄올과 테트라히드로푸란(THF)에 용해됩니다.
산도 계수 (pKa): 4.76 · 4.76±0.10(Predicted)
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색

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)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

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

유해성 정보

Hazard Classes and Categories · 2건

Skin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 2922498590

화학 및 산업

응용 분야

용도4-(Boc-amino)cyclohexanecarboxylic acid is used as pharmaceutical intermediate.

상·하류 제품 정보

상류 원료

공급사100 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]

Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

화합물 노트

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