1-(Boc-아미노)시클로프로판카르복실산

1-((tert-Butoxycarbonyl)amino)cyclopropanecarboxylic acid

HCID 688396CAS 88950-64-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)OC(=O)NC1(C(=O)O)CC1
InChIKey: DSKCOVBHIFAJRI-UHFFFAOYSA-N
분자식: C9H15NO4
평균 분자량: 201.22 g/mol
단동위원소 질량: 201.10010796

이름 및 식별자

우선 이름: 1-((tert-Butoxycarbonyl)amino)cyclopropanecarboxylic acid
IUPAC: 1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
현지명: 1-(Boc-아미노)시클로프로판카르복실산
영어명: 1-(Boc-amino)cyclopropanecarboxylic acid
분자식: C9H15NO4
분자량: 201.22

이름 및 동의어

88950-64-51-[(TERT-BUTOXYCARBONYL)AMINO]CYCLOPROPANECARBOXYLIC ACID1-((tert-Butoxycarbonyl)amino)cyclopropanecarboxylic acidRefChem:419129618-224-81-(Boc-amino)cyclopropanecarboxylic acidBoc-ACPC-OHN-Boc-1-aminocyclopropanecarboxylic acid1-{[(Tert-Butoxy)Carbonyl]Amino}Cyclopropane-1-Carboxylic AcidMFCD000832571-((tert-butoxycarbonyl)amino)cyclopropane-1-carboxylic acid1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid

이름 더 보기

1-(Boc-아미노)시클로프로판카르복실산Boc-ACC-OHBOC-AC3C-OHBOC-1, 1-ACCPBoc-1-aminocycLBOC-(1)NH-DELTA-OHBOC-(1)NHCPROPN-OHRARECHEM AR PA 00071-{[(tert-butoxy)carbonyl]amino}Boc-1-aminocyclopropyl formic acid

1-tert-Butoxycarbonylamino-cyclopropanecarboxylic acid1-(Boc-amino)cyclopropanecarboxylicacidSB39637IDI1_0175961-[(tert-butoxycarbonyl)amino]cyclopropane-1-carboxylic acid1-(N-tert-butoxycarbonylamino)cyclopropanecarboxylic acid1-tert-butoxycarbonylamino-1-cyclopropanecarboxylic acid1-((tert-butoxycarbonyl)amino) cyclopropanecarboxylic acid

데이터베이스 식별자

CAS: 88950-64-5
PubChem CID: 688396
DTXSID: DTXSID80350893
EC Number: 618-224-8
Nikkaji: J733.360I

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 75.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 14
형식 전하: 0
복잡도: 262

물리화학적 성질

녹는점: 178 °C · 178 °C
끓는 점: 347.6 · 347.6±21.0 °C(Predicted)
밀도: 1.21 · 1.21±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 4.04 · 4.04±0.20(Predicted)
물리적 상태: 고체
색상: 흰색에서 황백색까지
BRN: 4430628 · 4430628
주요 응용: 펩타이드 합성
InChI: InChI=1S/C9H15NO4/c1-8(2,3)14-7(13)10-9(4-5-9)6(11)12/h4-5H2,1-3H3,(H,10,13)(H,11,12)
InChIKey: DSKCOVBHIFAJRI-UHFFFAOYSA-N
SMILES: C1(NC(OC(C)(C)C)=O)(C(O)=O)CC1

화학적 성질

White crystalline powder

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)

Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29242990
risk_code: 36/37/38-22
hazard_code: Xi,Xn,O
safety_code: 26-36-36/37/39-22
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

개요1-(Boc-amino)cyclopropanecarboxylic acid is an important organic compound. It is used in the biological field for the synthesis of irreversible inhibitors of tetrapeptide carboxypeptidases, leading to covalent substrate modifications; preparation of combinatorial libraries. It is used in the synthetic field as a pharmaceutical synthesis intermediate.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

北京华美互利生物化工010-56205725 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

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

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

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