3-(메틸아미노)프로판산,N-BOC보호

3-(Methylamino)propanoic acid, N-BOC protected

HCID 2760952

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 124072-61-3
표준 SMILES: CN(CCC(=O)O)C(=O)OC(C)(C)C
InChIKey: BBIFRGBXCKOUBW-UHFFFAOYSA-N
분자식: C9H17NO4
평균 분자량: 203.24 g/mol
단동위원소 질량: 203.11575802

이름 및 식별자

우선 이름: 3-(Methylamino)propanoic acid, N-BOC protected
IUPAC: 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
현지명: 3-(메틸아미노)프로판산,N-BOC보호
영어명: 3-(Methylamino)propanoic acid, N-BOC protected
분자식: C9H17NO4
분자량: 203.24

이름 및 동의어

3-(methylamino)propanoic acid, n-boc protectedRefChem:495523696-567-2124072-61-33-((TERT-BUTOXYCARBONYL)(METHYL)AMINO)PROPANOIC ACIDN-Boc-3-(Methylamino)propanoic acid3-[(tert-Butoxycarbonyl)(methyl)amino]propanoic acidMFCD034905083-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic Acid3-{[(Tert-Butoxy)Carbonyl](Methyl)Amino}Propanoic Acidn-(tert-butoxycarbonyl)-n-methyl-beta-alaninebeta-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-

이름 더 보기

3-(메틸아미노)프로판산,N-BOC보호N-Boc-N-Methyl-b-alanineBoc-N-Me-β-AlaBoc-N-Me-β-Ala-OHBoc-N-Me-Beta-AlaN-Boc-N-methyl-β-alanineBoc-N-Methyl-beta-alanine3-(MethylaMino)propanoic aci3-[(Boc)(methyl)amino]propionic Acid3-(MethylaMino)propanoic acid, N-BOC

3-(tert-butoxycarbonyl(methyl)amino)propanoic acid3-[(TERT-BUTOXYCARBONYL)(METHYL)AMINO]PROPANOICACID3-[tert-butoxycarbonyl(methyl)amino]propanoic acidboc-beta-meala-oh3-((TERT-BUTOXYCARBONYL)(METHYL)AMINO)PROPANOICACIDBoc-MessAla-OHBoc-N-methyl-b-alanineBoc-|A-N-Me-Ala-OH

데이터베이스 식별자

CAS: 124072-61-3
PubChem CID: 2760952
DTXSID: DTXSID70375434
EC Number: 696-567-2
Nikkaji: J735.713C

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 66.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 14
형식 전하: 0
복잡도: 219

물리화학적 성질

녹는점: 59 · 59-62
끓는 점: 307.4 · 307.4±21.0 °C(Predicted)
밀도: 1.113 · 1.113±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 고체
산도 계수 (pKa): 4.46 · 4.46±0.10(Predicted)
색상: 옅은 노랑

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.