(2S)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanoic acid

HCID 334207

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 5123-55-7
표준 SMILES: O=C(O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIKey: VAYRSTHMTWUHGE-AWEZNQCLSA-N
분자식: C17H13NO4
평균 분자량: 295.29 g/mol
단동위원소 질량: 295.0844579

이름 및 식별자

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

이름 및 동의어

(2S)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanoic acidRefChem:398083N-Phthaloyl-(S)-phenylalanine610-635-0N-Phthaloyl-L-phenylalanine5123-55-7N-Pht-Phe-OHPhthaloyl-L-phenylalanineMFCD00069738(S)-N-PhthaloylphenylalanineN-Phthalyl-L-phenylalanine(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid

이름 더 보기

Pht-PhePHT-PHE-OHPht-L-Phe-OHPHTHALYL-L-PHENYLALANINEN-Phthaloyl-PhenylalanineN-PHTALOYL-L-PHENYLALANINE

NCGC00013262NSC 338600NCGC00096381-01AS-469202H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-a-(phenylmethyl)-,(aS)-F109122-Isoindolineacetic acid,3-dioxo-, (S)-(-)-N-Phthaloyl-Phe-OH

데이터베이스 식별자

CAS: 5123-55-7
PubChem CID: 334207
DTXSID: DTXSID70319030
ChEMBL: CHEMBL1331094
EC Number: 610-635-0
Nikkaji: J784.214G

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: 181 · 181-185 °C
끓는 점: 498 · 498.0±38.0 °C(Predicted)
밀도: 1.358 g/cm3 · 1.358 g/cm3
굴절률: -216.5 ° · -216.5 ° (C=2, EtOH)
저장 조건: Inert atmosphere,Room Temperature
용해도: 메탄올에 용해됩니다. (거의 투명함)
산도 계수 (pKa): 3.5 · 3.50±0.10(Predicted)
물리적 상태: 가루
색상: 하얀색

화학적 성질

White powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (50%)

안전 데이터

wgk: 3
HS 번호: 29242990
safety_code: 22-24/25
F 고인화성물질: 3-10

화학 및 산업

응용 분야

용도It is used as pharmaceutical intermediate.

공급사87 곳

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

苏州道澜生物医药科技有限公司15952404857 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

화합물 노트

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