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

HCID 11448200

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 14907-27-8
표준 SMILES: COC(=O)[C@H](N)Cc1c[nH]c2ccccc12.Cl
InChIKey: XNFNGGQRDXFYMM-HNCPQSOCSA-N
분자식: C12H15ClN2O2
평균 분자량: 254.71 g/mol
단동위원소 질량: 254.0822054

이름 및 식별자

우선 이름: methyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate hydrochloride
IUPAC: methyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate;hydrochloride
영어명: D-Tryptophan methyl ester hydrochloride
분자식: C12H15ClN2O2
분자량: 254.71

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

극성 표면적: 68.1 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 17
형식 전하: 0
복잡도: 257

물리화학적 성질

녹는점: 213 · 213-216 °C(lit.)
밀도: 1.337 g/cm3 · 1.337g/cm3 at 20℃
굴절률: -19 ° · -19 ° (C=5, MeOH)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: DMSO, (약간 용해됨), 메탄올 (약간 용해됨), 물 (약간 용해됨)
물리적 상태: 고체
색상: 흰색에서 황백색까지
수용성: 물(150mg/ml), 디메틸설폭사이드 및 메탄올(50mg/ml)에 용해됩니다.
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

화학적 성질

Off-White Crystalline Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

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%)

안전 데이터

wgk: 3
HS 번호: 29339900
safety_code: 24/25
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

개요D-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.

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