(R)-Methyl 2-amino-3-phenylpropanoate

HCID 853474CAS 21685-51-8

기본 정보

표준 SMILES: COC(=O)[C@H](N)Cc1ccccc1
InChIKey: VSDUZFOSJDMAFZ-SECBINFHSA-N
분자식: C10H13NO2
평균 분자량: 179.22 g/mol
단동위원소 질량: 179.09462866

이름 및 식별자

우선 이름: (R)-Methyl 2-amino-3-phenylpropanoate
IUPAC: methyl (2R)-2-amino-3-phenylpropanoate

이름 및 동의어

21685-51-8(R)-Methyl 2-amino-3-phenylpropanoateD-phenylalanine methyl estermethyl (2R)-2-amino-3-phenylpropanoatemethyl d-phenylalaninateD-Phenylalanine, Methyl ester(R)-2-Amino-3-phenylpropionic acid methylesterMFCD07786601(R)-METHYL2-AMINO-3-PHENYLPROPANOATED-Phenylalanine, methylesterHDPheOMeD-Phe-OMe

이름 더 보기

HY9FCC3QDXH-D-Phe-OCH3(R)-2-Amino-3-phenylpropionic acid methyl ester(2R)-2-Amino-3-phenylpropionic acid methyl esterD-phenyl alanine methyl esterCHEMBL53697SCHEMBL186022(D)-phenylalanine methyl ester

데이터베이스 식별자

CAS: 21685-51-8
PubChem CID: 853474
DTXSID: DTXSID501306319
ChEMBL: CHEMBL53697
UNII: HY9FCC3QDX
EC Number: 887-597-9
Nikkaji: J31.466H

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 52.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 13
형식 전하: 0
복잡도: 164

안전 및 규제

GHS 분류

GHS Classification · 4건

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