methyl (2S)-2-amino-3-{[(tert-butoxy)carbonyl]amino}propanoate hydrochloride

HCID 18334328

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 114559-25-0
표준 SMILES: COC(=O)[C@@H](N)CNC(=O)OC(C)(C)C.Cl
InChIKey: GDJLJNFNXINTHS-RGMNGODLSA-N
분자식: C9H19ClN2O4
평균 분자량: 254.71 g/mol
단동위원소 질량: 254.1033348

이름 및 식별자

우선 이름: methyl (2S)-2-amino-3-{[(tert-butoxy)carbonyl]amino}propanoate hydrochloride
IUPAC: methyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;hydrochloride
영어명: H-Dap(Boc)-OMe HCl
분자식: C9H18N2O4.ClH
분자량: 254.71

이름 및 동의어

methyl (2S)-2-amino-3-{[(tert-butoxy)carbonyl]amino}propanoate hydrochloridemethyl (2S)-2-amino-3-(((tert-butoxy)carbonyl)amino)propanoate hydrochlorideRefChem:812131695-129-8114559-25-0H-Dapa(Boc)-OMe.HCl(S)-Methyl 2-amino-3-((tert-butoxycarbonyl)amino)propanoate hydrochlorideH-DAP(BOC)-OME HCLMFCD00798684Methyl (S)-2-amino-3-((tert-butoxycarbonyl)amino)propanoate hydrochlorideH-Dap(Boc)-OMe.HClL-Alanine, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, hydrochloride (1:1)

이름 더 보기

H-Dapa(Boc)Dap (Boc)-OMe·HClH-L-Dap(Boc)-OMe*HClH-DAP(BOC)-OME HCL 100gH-Dap(Boc)-Ome hydrochlorideH-DAP(BOC)-OME HCL USP/EP/BPALPHA,BETA-DIAMINOPROPIONIC ACID(BOC)-OME HCLN-β-Boc-L-2,3-diaminopropionic acid methyl ester

SCHEMBL2681080methyl (2S)-2-amino-3-[(tert-butoxycarbonyl)amino]propanoate hydrochloridemethyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;hydrochlorideMethyl (S)-2-Amino-3-(Boc-amino)propionate HydrochlorideMethyl 3-[(tert-butoxycarbonyl)amino]-L-alaninate hydrochloride(S)-methyl 2-amino-3-(tert-butoxycarbonylamino)propanoate hydrochlorideGDJLJNFNXINTHS-RGMNGODLSA-NH-Dap(Boc)-OMe . HCl

데이터베이스 식별자

CAS: 114559-25-0
PubChem CID: 18334328
DTXSID: DTXSID70592907
EC Number: 695-129-8

물성

구조 계산 물성

극성 표면적: 90.7 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 5
회전 가능 결합 수: 6
무거운 원자 수: 16
형식 전하: 0
복잡도: 235

물리화학적 성질

저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
물리적 상태: 고체
색상: 하얀색
InChI: 1S/C9H18N2O4.ClH/c1-9(2,3)15-8(13)11-5-6(10)7(12)14-4;/h6H,5,10H2,1-4H3,(H,11,13);1H/t6-;/m0./s1
InChIKey: GDJLJNFNXINTHS-RGMNGODLSA-N
SMILES: Cl.COC(=O)[C@@H](N)CNC(=O)OC(C)(C)C

화학적 성질

White crystalline powder

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.