(4-Phenylbutyl)phosphonic acid

HCID 13687984

노트 반응

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기본 정보

CAS: 46348-61-2
표준 SMILES: O=P(O)(O)CCCCc1ccccc1
InChIKey: PJOFGDOSMWTOOQ-UHFFFAOYSA-N
분자식: C10H15O3P
평균 분자량: 214.2 g/mol
단동위원소 질량: 214.07588097

이름 및 식별자

우선 이름: (4-Phenylbutyl)phosphonic acid
IUPAC: 4-phenylbutylphosphonic acid
영어명: 4-phenylbutylphosphonic acid
분자식: C10H15O3P
분자량: 214.2

이름 및 동의어

(4-phenylbutyl)phosphonic acid46348-61-24-PHENYLBUTYLPHOSPHONIC ACIDMFCD034527344-phenylbutyl phosphonic acidP-(4-Phenylbutyl)phosphonic Acid; Phosphonic acid, (4-phenylbutyl)- (9CI); 4-Phenylbutylphosphonic acid; Fosinopril Related Compound HFosinopril USP Rc H(4-phenylbutyl)phosphonicacidSCHEMBL4414066DTXSID005467714-(Phenyl)-butyl phosphonous acidWBA34861

이름 더 보기

Fosinopril IMpurity GFosinopril Impurity 3Fosinopril Impurity 16Fosinopril Sodium Impurity 184-Phenyl butyl phosphoric acidP-(4-Phenylbutyl)phosphonic acidPhosphonic acid, (4-phenylbutyl)-Phosphonic acid, P-(4-phenylbutyl)-Fosinopril Related Compound H (25 mg) (4-phenylbutyl phosphonic acid)

EBC-54093AKOS033919752DB-242110CS-0497651EN300-263514Z1269108857

데이터베이스 식별자

CAS: 46348-61-2
PubChem CID: 13687984
DTXSID: DTXSID00546771
Nikkaji: J633.682E

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 14
형식 전하: 0
복잡도: 194

물리화학적 성질

녹는점: 93 ℃ · 93℃ (ethyl acetate hexane )
저장 조건: 2 · 2-8°C
주요 응용: 제약
InChI: 1S/C10H15O3P/c11-14(12,13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H2,11,12,13)
InChIKey: PJOFGDOSMWTOOQ-UHFFFAOYSA-N
SMILES: [P](=O)(O)(O)CCCCc1ccccc1

안전 및 규제

안전 데이터

wgk: 3
HS 번호: 2931909000
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도4-Phenylbutylphosphonic Acid is an impurity in the synthesis of Fosinopril (F727800), a phosphinic acid containing angiotensin converting enzyme (ACE) inhibitor. Antihypertensive.