4-Phenylpiperidine-4-carbonitrile hydrochloride

HCID 3084973CAS 51304-58-6

기본 정보

표준 SMILES: Cl.N#CC1(c2ccccc2)CCNCC1
InChIKey: CQPHZBOPSZGTJM-UHFFFAOYSA-N
분자식: C12H15ClN2
평균 분자량: 222.71 g/mol
단동위원소 질량: 222.09237616

이름 및 식별자

우선 이름: 4-Phenylpiperidine-4-carbonitrile hydrochloride
IUPAC: 4-phenylpiperidine-4-carbonitrile;hydrochloride

이름 및 동의어

4-Phenylpiperidine-4-carbonitrile hydrochloride4-Phenylpiperidine-4-carbonitrile HClNSC 63943EINECS 257-124-5DTXSID60199303DMCVVFIWYIKAEJ-UHFFFAOYSA-RefChem:526443DTXCID50121794257-124-5InChI=1/C12H14N2/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11/h1-5,14H,6-9H24-Cyano-4-phenylpiperidine hydrochloride51304-58-6

이름 더 보기

MFCD000127754-Cyano-4-phenylpiperidine HCl4-phenylpiperidine-4-carbonitrile;hydrochloride4-Piperidinecarbonitrile, 4-phenyl-, hydrochloride (1:1)NSC-639434-Piperidinecarbonitrile, 4-phenyl-, monohydrochloride4-phenylpiperidine-4-carbonitrile, chlorideNSC63943

데이터베이스 식별자

CAS: 51304-58-6
PubChem CID: 3084973
DTXSID: DTXSID60199303
UNII: G4Y6EK6T5Q
EC Number: 257-124-5

물성

구조 계산 물성

극성 표면적: 35.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 15
형식 전하: 0
복잡도: 226

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.