N-Benzoyl-DL-phenylalanine

HCID 273362CAS 2566-22-5

기본 정보

표준 SMILES: O=C(NC(Cc1ccccc1)C(=O)O)c1ccccc1
InChIKey: NPKISZUVEBESJI-UHFFFAOYSA-N
분자식: C16H15NO3
평균 분자량: 269.29 g/mol
단동위원소 질량: 269.10519334

개요

2-(benzoylamino)-3-phenylpropanoic acid is a member of the class of benzamides that is 3-phenylpropanoic acid in which one of the hydrogens at position 2 has been replaced by a benzoylamino group. It is a member of benzamides and a N-acyl-amino acid.

이름 및 식별자

우선 이름: N-Benzoyl-DL-phenylalanine
IUPAC: 2-benzamido-3-phenylpropanoic acid
영어명: BZ-PHE-OH
분자식: C16H15NO3
분자량: 269.3

이름 및 동의어

2901-76-0N-Benzoyl-dl-phenylalanine3-phenyl-2-(phenylformamido)propanoic acidDTXSID301311364RefChem:829062CHEBI:90417DTXCID20893350636-715-5Benzoyl-dl-phenylalanine2-benzamido-3-phenylpropanoic acidBz-DL-Phe-OHN-Benzoylphenylalanine

이름 더 보기

BZ-PHE-OHBZO-PHE-OHNSC 167264Bz-L-Phe-OHBENZOYL-PHE-OHBZ-PHENYLALANINEBZ-PHE-OH USP/EP/BPbenzoylphenylalanineBENZOYL-L-PHENYLALANINE

MFCD00037252Phenylalanine, N-benzoyl-N-Benzoylphenylalanine #2-(benzoylamino)-3-phenylpropanoic acidCHEBI:90419HMS1659K12HMS2288N06NSC96354

데이터베이스 식별자

CAS: 2566-22-5、2901-76-0、93059-41-7
PubChem CID: 273362
DTXSID: DTXSID301311364
ChEMBL: CHEMBL67572
ChEBI: CHEBI:90419
EC Number: 636-715-5
Nikkaji: J274.655G

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 66.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 20
형식 전하: 0
복잡도: 331

물리화학적 성질

녹는점: 184 °C · 184 °C (decomp)
끓는 점: 532 · 532.0±43.0 °C(Predicted)
밀도: 1.232 · 1.232±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Sealed in dry,Store in freezer, under -20°C
산도 계수 (pKa): 3.8 · 3.80±0.10(Predicted)
물리적 상태: 가루
색상: 미색에서 흰색까지

화학적 성질

Crystalline

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.