4-[(TERT-BUTOXYCARBONYL)(메틸)아미노]부탄산

4-{[(Tert-butoxy)carbonyl](methyl)amino}butanoic acid

HCID 10656390

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 94994-39-5
표준 SMILES: CN(CCCC(=O)O)C(=O)OC(C)(C)C
InChIKey: PXAKQDWAISFHCM-UHFFFAOYSA-N
분자식: C10H19NO4
평균 분자량: 217.26 g/mol

이름 및 식별자

우선 이름: 4-{[(Tert-butoxy)carbonyl](methyl)amino}butanoic acid
IUPAC: 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
현지명: 4-[(TERT-BUTOXYCARBONYL)(메틸)아미노]부탄산
영어명: 4-[(tert-Butoxycarbonyl)(methyl)amino]butanoic acid
분자식: C10H19NO4
분자량: 217.26

이름 및 동의어

4-{[(tert-butoxy)carbonyl](methyl)amino}butanoic acid4-(((tert-butoxy)carbonyl)(methyl)amino)butanoic acid4-([(tert-Butoxy)carbonyl](methyl)amino)butanoic acidRefChem:508693837-904-794994-39-54-((tert-Butoxycarbonyl)(methyl)amino)butanoic acidBoc-N-methyl-gamma-aminobutyric acidMFCD09831984Butanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]methylamino]-4-[(tert-butoxycarbonyl)(methyl)amino]butanoic acid4-(N-BOC-N-METHYL-AMINO)-BUTYRIC ACID

이름 더 보기

4-[(TERT-BUTOXYCARBONYL)(메틸)아미노]부탄산4-[N-Boc-(methylamino)]butanoic acid(Tert-Butoxy)Carbonyl N-Me-Abu(4)-OH

4-(tert-butoxycarbonyl-methyl-amino)-butyric acid4-[tert-butoxycarbonyl(methyl)amino]butanoic acid4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic Acid4-((tert-butoxycarbonyl)(methyl)amino)butanoicacidBoc-N-Me-GABA4-[(TERT-BUTOXYCARBONYL)(METHYL)AMINO]BUTANOICACID4-[{[(1,1-Dimethylethyl)oxy]carbonyl}(methyl)amino)butanoic acid4-[{[(1,1-dimethylethyl)oxy]carbonyl}(methyl)amino]butanoic acid

데이터베이스 식별자

CAS: 94994-39-5
PubChem CID: 10656390
EC Number: 837-904-7

물성

구조 계산 물성

XLogP: 1
극성 표면적: 66.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 6
무거운 원자 수: 15
형식 전하: 0
복잡도: 232

물리화학적 성질

끓는 점: 332.5 · 332.5±21.0 °C(Predicted)
밀도: 1.091 · 1.091±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 4.7 · 4.70±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (50%)

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

응용 분야

용도4-((tert-Butoxycarbonyl)(methyl)amino)butanoic Acid is used in preparation of substituted straight chain spiro derivatives as menin/MLL protein/protein interaction inhibitors useful for treating diseases.