methyl 2-amino-3-(1H-indol-3-yl)propanoate hydrochloride

HCID 2827264CAS 5619-09-0

基本情報

標準SMILES: COC(=O)C(N)Cc1c[nH]c2ccccc12.Cl
InChIKey: XNFNGGQRDXFYMM-UHFFFAOYSA-N
分子式: C12H15ClN2O2
平均分子量: 254.71 g/mol
単同位体質量: 254.0822054

名称と識別子

優先名称: methyl 2-amino-3-(1H-indol-3-yl)propanoate hydrochloride
IUPAC: methyl 2-amino-3-(1H-indol-3-yl)propanoate;hydrochloride

名称と別名

Methyl 2-amino-3-(1H-indol-3-yl)propanoate HydrochlorideDTXSID80385140RefChem:813924DTXCID90336163868-041-45619-09-0H-DL-Trp-OMe.HClDL-TRYPTOPHAN METHYL ESTER HYDROCHLORIDEMFCD00066133d,l-tryptophan methyl ester hydrochlorideH-DL-Trp-OMe HClH-DL-Trp-OMe inverted exclamation mark currencyHCl

名称をさらに表示

NSC-34498methyl 2-amino-3-(1H-indol-3-yl)propanoate;hydrochlorideH-DL-Trp-OMe . HClmethyl 2-amino-3-indol-3-ylpropanoate, chlorideXNFNGGQRDXFYMM-UHFFFAOYSA-NTRYPTOPHAN METHYL ESTER hydrochlorideHMA26XZM47SCHEMBL378071

データベース識別子

CAS: 5619-09-0
PubChem CID: 2827264
DTXSID: DTXSID80385140
UNII: HMA26XZM47
EC Number: 105-857-5、868-041-4

物性

構造計算による物性

極性表面積: 68.1 Å²
水素結合供与体数: 3
水素結合受容体数: 3
回転可能結合数: 4
重原子数: 17
形式電荷: 0
複雑度: 257

安全と法規制

GHS分類

GHS Classification · 4 件

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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.