1-((Tert-butoxycarbonyl)amino)cyclohexanecarboxylic acid

HCID 2794744CAS 115951-16-1

기본 정보

표준 SMILES: CC(C)(C)OC(=O)NC1(C(=O)O)CCCCC1
InChIKey: URBHKVWOYIMKNO-UHFFFAOYSA-N
분자식: C12H21NO4
평균 분자량: 243.3 g/mol
단동위원소 질량: 243.14705815

이름 및 식별자

우선 이름: 1-((Tert-butoxycarbonyl)amino)cyclohexanecarboxylic acid
IUPAC: 1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
영어명: 1-TERT-BUTOXYCARBONYLAMINO-CYCLOHEXANECARBOXYLIC ACID
분자식: C12H21NO4
분자량: 243.3

이름 및 동의어

1-[(tert-butoxycarbonyl)amino]cyclohexanecarboxylic acid1-((tert-Butoxycarbonyl)amino)cyclohexanecarboxylic acidRefChem:419127806-728-2115951-16-11-(Boc-amino)cyclohexanecarboxylic acidMFCD002734271-{[(tert-butoxy)carbonyl]amino}cyclohexane-1-carboxylic acid1-tert-Butoxycarbonylamino-cyclohexanecarboxylic acidCyclohexanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic AcidBoc-1-aminocyclohexane-1-carboxylic acid

이름 더 보기

RARECHEM EM WB 0029BOC-CYCLOHOMOLEUCINEBOC-HOMOCYCLOLEUCINEAmbroxol Impurity 125N-BOC-AMINOCYCLOHEXYLCARBOXYLIC ACIDBOC-1-AMINOCYCLOHEXANECARBOXYLIC ACIDN-Boc-1-Aminocyclohexanecarboxylic acid

1-[(tert-butoxycarbonyl)amino]cyclohexane-1-carboxylic acid1-(tert-butoxycarbonylamino)cyclohexanecarboxylic acid1-(Boc-amino)-cyclohexanecarboxylic acid1-((tert-Butoxycarbonyl)amino)cyclohexane-1-carboxylic acidboc-1-aminocyclohexane carboxylic acid1-(Boc-amino)cyclohexanecarboxylicAcidBOC-NH(1)CHEX-OHSCHEMBL496169

데이터베이스 식별자

CAS: 115951-16-1
PubChem CID: 2794744
DTXSID: DTXSID50383370
EC Number: 806-728-2
Nikkaji: J1.294.294J

물성

구조 계산 물성

XLogP: 2.1
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: 300

물리화학적 성질

녹는점: 176 · 176-178 °C (dec.)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 고체
색상: 하얀색
BRN: 4189683 · 4189683
주요 응용: 펩타이드 합성
InChI: 1S/C12H21NO4/c1-11(2,3)17-10(16)13-12(9(14)15)7-5-4-6-8-12/h4-8H2,1-3H3,(H,13,16)(H,14,15)
InChIKey: URBHKVWOYIMKNO-UHFFFAOYSA-N
SMILES: CC(C)(C)OC(=O)NC1(CCCCC1)C(O)=O

화학적 성질

White powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

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