CAS 13033-84-6 methyl (2R)-2-amino-3-phenylpropanoate;hydrochloride (HCID 11481330)

기본 정보

CAS: 13033-84-6
표준 SMILES: COC(=O)[C@H](N)Cc1ccccc1.Cl
InChIKey: SWVMLNPDTIFDDY-SBSPUUFOSA-N
분자식: C10H14ClNO2
평균 분자량: 215.67 g/mol
단동위원소 질량: 215.07130637

이름 및 식별자

우선 이름: methyl (2R)-2-amino-3-phenylpropanoate;hydrochloride
IUPAC: methyl (2R)-2-amino-3-phenylpropanoate;hydrochloride
영어명: D-Phenylalanine methyl ester hydrochloride
분자식: C10H14ClNO2
분자량: 215.68

이름 및 동의어

D-Phenylalanine, methyl ester, hydrochloridemethyl (2R)-2-amino-3-phenylpropanoate;hydrochlorideRefChem:812049METHYL (2R)-2-AMINO-3-PHENYLPROPANOATE HYDROCHLORIDED-Phenylalanine, methyl ester, hydrochloride (1:1)603-406-1945-660-913033-84-6D-Phenylalanine methyl ester hydrochlorideH-D-Phe-OMe.HCl(R)-Methyl 2-amino-3-phenylpropanoate hydrochlorideD-Phenylalanine methyl ester HCl

이름 더 보기

H-D-Phe-OMeD-PHENYLALANINE-OME HCLD-DhenylalaninemethylesterHClD-PHENYLALANINE ETHYL ESTER HCLR-Phenyl Alanine methyl ester HCL

D-Phe-OMe monohydrochlorideMFCD00066112Methyl D-Phenylalaninate Hydrochloride(R)-Phenylalanine Methyl Ester Hydrochloride[(2R)-1-Methoxy-1-oxo-3-phenylpropan-2-yl]azanium;chlorideH-D-Phe-OMe HClD-PheC1ClD-Phe-OMe-HCl

데이터베이스 식별자

CAS: 13033-84-6
PubChem CID: 11481330
DTXSID: DTXSID40467254
UNII: EL9Z2VT355
EC Number: 603-406-1、945-660-9

물성

구조 계산 물성

극성 표면적: 52.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 14
형식 전하: 0
복잡도: 164

물리화학적 성질

녹는점: 159 · 159-163 °C(lit.)
굴절률: -37 ° · -37.0 ° (C=2, EtOH)
저장 조건: 2 · 2-8°C
용해도: 에탄올과 메탄올에 용해됩니다.
물리적 상태: 분말 또는 결정성 분말
색상: 흰색에서 황백색까지
주요 응용: 펩타이드 합성
InChI: InChI=1/C10H13NO2.ClH/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H/t9-;/s3
InChIKey: SWVMLNPDTIFDDY-SBSPUUFOSA-N
SMILES: C1(C=CC=CC=1)C[C@@H](N)C(=O)OC.Cl |&1:7,r|

화학적 성질

White Solid

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 33.3% (2 of 6) of reports.

Warning

H315 (66.7%): 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 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.

유해성 정보

Regulatory Information · 3건

Status: Active Update: 29-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23702

Status: Active Update: 16-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30259

D-Phenylalanine, methyl ester, hydrochloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesNot Classified

안전 데이터

wgk: 3
HS 번호: 29224999
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도D-Phenylalanine Methyl Ester Hydrochloride is a compound useful in organic synthesis used in the preparation of amidines via copper-catalyzed three-component coupling of sulfonyl azides with alkynes and amines.