CAS 14907-27-8 methyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate hydrochloride (HCID 11448200)

基本情報

CAS: 14907-27-8
標準SMILES: COC(=O)[C@H](N)Cc1c[nH]c2ccccc12.Cl
InChIKey: XNFNGGQRDXFYMM-HNCPQSOCSA-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 (2R)-2-amino-3-(1H-indol-3-yl)propanoate hydrochloride
IUPAC: methyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate;hydrochloride
現地名: D-トリプトファンメチル塩酸塩
英語名: D-Tryptophan methyl ester hydrochloride
分子式: C12H15ClN2O2
分子量: 254.71

名称と別名

methyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate hydrochlorideD-Tryptophan, methyl ester, hydrochloride (1:1)RefChem:812034639-469-7D-Tryptophan methyl ester hydrochloride14907-27-8H-D-Trp-OMe.HCl(R)-Methyl 2-amino-3-(1H-indol-3-yl)propanoate hydrochloridemethyl D-tryptophanate hydrochlorideH-D-Trp-OMe HClMFCD00038992SCHEMBL475266

名称をさらに表示

D-トリプトファンメチル塩酸塩D‐トリプトファンメチルエステル塩酸塩D-トリプトファンメチルエステル塩酸塩H-D-TRP-OME · HCLD-トリプトファンメチルエステル塩酸塩D-TRYPTOPHAN METHYL ESTERTrp-OMeANAM-002D-TRP.OME.HCLD-Trp-OCH3.HclH-D-TRP-OME·HCLD-Tryptophan methyl

methyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate;hydrochlorideEC 639-469-7D-TRYPTOPHANE METHYL ESTER HCL(D)-tryptophan methyl ester hydrochloride(R)-Tryptophane methyl ester hydrochloride[(2R)-3-(1H-Indol-3-yl)-1-methoxy-1-oxopropan-2-yl]azanium;chlorideZ1536943518D-TRYPTOPHAN METHYL ESTER HCL

データベース識別子

CAS: 14907-27-8
PubChem CID: 11448200
DTXSID: DTXSID90466232
UNII: 4AD8W26KPC
EC Number: 639-469-7

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

物理化学的性質

融点: 213 · 213-216 °C(lit.)
比重(密度): 1.337 g/cm3 · 1.337g/cm3 at 20℃
屈折率: -19 ° · -19 ° (C=5, MeOH)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: DMSO、(微量)、メタノール(微量)、水(微量)
外見: 個体
色: ホワイトからオフホワイト
水溶解度: 水 (150 mg/ml)、ジメチルスルホキシド、メタノール (50 mg/ml) に溶解。
InChI: InChI=1/C12H14N2O2.ClH/c1-16-12(15)10(13)6-8-7-14-11-5-3-2-4-9(8)11;/h2-5,7,10,14H,6,13H2,1H3;1H/t10-;/s3
InChIKey: XNFNGGQRDXFYMM-MEQOOBBNNA-N
SMILES: C12C=CC=CC=1NC=C2C[C@@H](N)C(=O)OC.Cl |&1:10,r|
LogP: 1.089 · 1.089
CAS データベース: 14907 · 14907-27-8(CAS DataBase Reference)

化学的性質

化学的特性Off-White Crystalline Solid

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Danger

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationREACH registered substance: methyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate hydrochloride (EC: 639-469-7)

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

安全データ

wgk: 3
hs_code: 29339900
化審法: (5)-6818
safety_code: 24/25
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

説明D-Tryptophan Methyl Ester Hydrochloride is an intermediate in the synthesis of Tryptophan derivatives. Soluble in water (150 mg/ml), dimethyl sulfoxide and methanol (50 mg/ml). Incompatible with strong oxidizing agents. Store under room temperature.

使用D-Tryptophan Methyl Ester Hydrochloride is an intermediate in the synthesis of Tryptophan derivatives.