CAS 114559-25-0 methyl (2S)-2-amino-3-{[(tert-butoxy)carbonyl]amino}propanoate hydrochloride (HCID 18334328)

基本情報

CAS: 114559-25-0
標準SMILES: COC(=O)[C@@H](N)CNC(=O)OC(C)(C)C.Cl
InChIKey: GDJLJNFNXINTHS-RGMNGODLSA-N
分子式: C9H19ClN2O4
平均分子量: 254.71 g/mol
単同位体質量: 254.1033348

名称と識別子

優先名称: methyl (2S)-2-amino-3-{[(tert-butoxy)carbonyl]amino}propanoate hydrochloride
IUPAC: methyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;hydrochloride
現地名: H-DAP(BOC)-OME塩酸塩
英語名: H-Dap(Boc)-OMe HCl
分子式: C9H18N2O4.ClH
分子量: 254.71

名称と別名

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)

名称をさらに表示

H-DAP(BOC)-OME塩酸塩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

物性

構造計算による物性

極性表面積: 90.7 Å²
水素結合供与体数: 3
水素結合受容体数: 5
回転可能結合数: 6
重原子数: 16
形式電荷: 0
複雑度: 235

物理化学的性質

貯蔵温度: -20 °C · Inert atmosphere,Store in freezer, under -20°C
外見: solid
色: White
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

化学的性質

化学的特性White crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

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.