N-Phthaloyl-DL-phenylalanine

HCID 227754

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3588-64-5
표준 SMILES: O=C(O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIKey: VAYRSTHMTWUHGE-UHFFFAOYSA-N
분자식: C17H13NO4
평균 분자량: 295.29 g/mol
단동위원소 질량: 295.0844579

이름 및 식별자

우선 이름: N-Phthaloyl-DL-phenylalanine
IUPAC: 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid
영어명: 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoic acid
분자식: C17H13NO4
분자량: 295.29

이름 및 동의어

38229-08-2N-PHTHALOYL-DL-PHENYLALANINERefChem:831020652-169-03588-64-52-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoic acid2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid2-(1,3-Dioxo-2,3-Dihydro-1H-Isoindol-2-Yl)-3-Phenylpropanoic AcidMFCD00023056NSC197602-(1,3-dioxoisoindolin-2-yl)-3-phenylpropanoic acid2-(1,3-dioxoisoindol-2-yl)-3-phenyl-propanoic acid

이름 더 보기

2H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-α-(phenylmethyl)-

F1265-01232H-isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-alpha-(phenylmethyl)-2-(1,3-dioxobenzo[c]azolin-2-yl)-3-phenylpropanoic acidNSC-19760N-phthaloyl phenylalanineChemDiv2_000002CBKinase1_000078CBKinase1_012478

데이터베이스 식별자

CAS: 3588-64-5、38229-08-2
PubChem CID: 227754
DTXSID: DTXSID10281020
ChEMBL: CHEMBL262870
EC Number: 652-169-0
Nikkaji: J653.955F

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 74.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 22
형식 전하: 0
복잡도: 445

물리화학적 성질

녹는점: 182 °C · 182 °C
끓는 점: 498 · 498.0±38.0 °C(Predicted)
밀도: 1.406 · 1.406±0.06 g/cm3(Predicted)
산도 계수 (pKa): 3.5 · 3.50±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): 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 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.