CAS 71258-18-9 4-Piperidinecarbonitrile, 4-phenyl-1-(phenylmethyl)-, hydrochloride (1:1) (HCID 12652062)

기본 정보

CAS: 71258-18-9
표준 SMILES: Cl.N#CC1(c2ccccc2)CCN(Cc2ccccc2)CC1
InChIKey: SPXFNRMZPRHYRH-UHFFFAOYSA-N
분자식: C19H21ClN2
평균 분자량: 312.8 g/mol
단동위원소 질량: 312.1393264

이름 및 식별자

우선 이름: 4-Piperidinecarbonitrile, 4-phenyl-1-(phenylmethyl)-, hydrochloride (1:1)
IUPAC: 1-benzyl-4-phenylpiperidine-4-carbonitrile;hydrochloride
영어명: 1-Benzyl-4-cyano-4-phenylpiperidine hydrochloride
분자식: C19H20N2.ClH
분자량: 312.84

이름 및 동의어

71258-18-94-Piperidinecarbonitrile, 4-phenyl-1-(phenylmethyl)-, hydrochloride (1:1)RefChem:10714191-Benzyl-4-cyano-4-phenylpiperidine Hydrochloride1-benzyl-4-phenylpiperidine-4-carbonitrile hydrochloride1-Benzyl-4-cyano-4-phenylpiperidine HClC19H21ClN21-N-Benzyl-4-cyano-4-phenylpiperidine hydrochlorideMFCD000353611-Benzyl-4-phenylpiperidine-4-carbonitrilehydrochloride1-benzyl-4-phenylpiperidine-4-carbonitrile;hydrochloride1-Benzyl-4-phenylpiperidine-4-carbonitrile monohydrochloride

이름 더 보기

N-BENZYL-4-CYANO-4PHENYLPIPERIDINE HCL1-N-Benzyl-4-cyano-4-phenylpiperidineHCl1-Benzyl-4-cyano-4-phenylpiperidine monohydrochloride1-Benzyl-4-cyano-4-phenylpiperidine hydrochloride,99%1-N-Benzyl-4-Cyano-4-Phenylpiperidine Hydrochloride 11-Benzyl-4-cyano-4-phenylpiperidine Hydrochloride >4-PHENYL-1-(PHENYLMETHYL)-4-PIPERIDINECARBONITRILE HCL

NSC238324-phenyl-1-benzylpiperidine-4-carbonitrile, chlorideC19H20ClN2SCHEMBL2473959NIOSH/NS8800000SPXFNRMZPRHYRH-UHFFFAOYSA-NDTXSID801379107MFCD00044826

물성

구조 계산 물성

극성 표면적: 27 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 22
형식 전하: 0
복잡도: 360

물리화학적 성질

녹는점: 257 · 257-261 °C
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
InChI: InChI=1S/C19H20N2.ClH/c20-16-19(18-9-5-2-6-10-18)11-13-21(14-12-19)15-17-7-3-1-4-8-17;/h1-10H,11-15H2;1H
InChIKey: SPXFNRMZPRHYRH-UHFFFAOYSA-N
SMILES: N1(CC2=CC=CC=C2)CCC(C#N)(C2=CC=CC=C2)CC1.[H]Cl

화학적 성질

White to beige powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (95.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400 (93.6%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 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.