CAS 115761-61-0 1-Biphenyl-3-yl-piperazine (HCID 2756712)

기본 정보

CAS: 115761-61-0
표준 SMILES: c1ccc(-c2cccc(N3CCNCC3)c2)cc1
InChIKey: MHBONQZDOYFHIB-UHFFFAOYSA-N
분자식: C16H18N2
평균 분자량: 238.33 g/mol
단동위원소 질량: 238.14699858

이름 및 식별자

우선 이름: 1-Biphenyl-3-yl-piperazine
IUPAC: 1-(3-phenylphenyl)piperazine
현지명: 1-(3-비페닐릴)피페라진
영어명: 1-(3-Biphenylyl)piperazine
분자식: C16H18N2
분자량: 238.33

이름 및 동의어

115761-61-01-biphenyl-3-yl-piperazineDTXSID30373491RefChem:228191DTXCID703245231-(3-Biphenylyl)piperazine1-(3-phenylphenyl)piperazine1-(biphenyl-3-yl)piperazine1-(3-Biphenylyl)-piperazineMFCD062018871-([1,1'-biphenyl]-3-yl)piperazine1-{[1,1'-biphenyl]-3-yl}piperazine

이름 더 보기

1-(3-비페닐릴)피페라진1-(BiphenyL1-(3-BIPHENYLYL)-PIPERAZINE >98%

Piperazine, 1-[1,1'-biphenyl]-3-yl-CHEMBL21643311-biphenyl-3-ylpiperazin1-biphenyl-3-ylpiperazine3-[1-piperazinyl]biphenylSCHEMBL1914606SCHEMBL30022113MHBONQZDOYFHIB-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 115761-61-0
PubChem CID: 2756712
DTXSID: DTXSID30373491
ChEMBL: CHEMBL2164331
EC Number: 675-161-9

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 15.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 18
형식 전하: 0
복잡도: 241

물리화학적 성질

녹는점: 69 °C · 69°C
끓는 점: 430.8 · 430.8±33.0 °C(Predicted)
밀도: 1.068 · 1.068±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
물리적 상태: 고체
산도 계수 (pKa): 8.92 · 8.92±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, P317, 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.