A-벤질하이드로신남산

Benzenepropanoic acid, alpha-(phenylmethyl)-

HCID 64800

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 618-68-8
표준 SMILES: O=C(O)C(Cc1ccccc1)Cc1ccccc1
InChIKey: RBLAOGBEJPHFHW-UHFFFAOYSA-N
분자식: C16H16O2
평균 분자량: 240.3 g/mol
단동위원소 질량: 240.11502975

이름 및 식별자

우선 이름: Benzenepropanoic acid, alpha-(phenylmethyl)-
IUPAC: 2-benzyl-3-phenylpropanoic acid
현지명: A-벤질하이드로신남산
영어명: α-Benzylhydrocinnamic acid
분자식: C16H16O2
분자량: 240.3

이름 및 동의어

618-68-8Dibenzylacetic acidBenzenepropanoic acid, .alpha.-(phenylmethyl)-Hydrocinnamic acid, alpha-benzyl-NSC 6239NSC 109102Benzenepropanoic acid, alpha-(phenylmethyl)-DTXSID6060684RefChem:117699DTXCID00431352-Benzyl-3-phenylpropanoic acidA-BENZYLHYDROCINNAMIC ACID

이름 더 보기

A-벤질하이드로신남산AKOS B023876α-Benzylhydrocinnamic acidALPHA-BENZYLHYDROCINNAMIC ACID2-BENZYL-3-PHENYLPROPANOIC ACID 97%3-phenyl-2-(phenylmethyl)propanoic acidBenzenepropanoic acid, α-(phenylmethyl)-

Racecadotril Impurity MMFCD007964802-Benzyl-3-phenylpropanoicacidNSC6239NSC-6239Hydrocinnamic acid, .alpha.-benzyl-2-benzyl-3-phenylpropionic aciddi-benzylacetic acid

데이터베이스 식별자

CAS: 618-68-8
PubChem CID: 64800
DTXSID: DTXSID6060684
ChEMBL: CHEMBL1742271
EC Number: 835-335-9
Nikkaji: J95.565E

물성

구조 계산 물성

XLogP: 3.7
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 5
무거운 원자 수: 18
형식 전하: 0
복잡도: 230

물리화학적 성질

녹는점: 90 °C · 90°C
끓는 점: 343.02 °C · 343.02°C (rough estimate)
밀도: 1.0752 · 1.0752 (rough estimate)
굴절률: 1.629 · 1.6290 (estimate)
저장 조건: 2 · 2-8°C
EPA: Benzenepropanoic acid, .alpha.-(phenylmethyl)- (618-68-8)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.