N-BENZYL-4-CYANO-4-(1-PIPERIDINO)-피페리딘,98

1'-(Phenylmethyl)-(1,4'-bipiperidine)-4'-carbonitrile

HCID 2733434CAS 84254-97-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: N#CC1(N2CCCCC2)CCN(Cc2ccccc2)CC1
InChIKey: XXZATAXHOSMHKY-UHFFFAOYSA-N
분자식: C18H25N3
평균 분자량: 283.4 g/mol
단동위원소 질량: 283.2048478

이름 및 식별자

우선 이름: 1'-(Phenylmethyl)-(1,4'-bipiperidine)-4'-carbonitrile
IUPAC: 1-benzyl-4-piperidin-1-ylpiperidine-4-carbonitrile
현지명: N-BENZYL-4-CYANO-4-(1-PIPERIDINO)-피페리딘,98
영어명: N-Benzyl-4-cyano-4-(1-piperidino)-piperidine, 98
분자식: C18H25N3
분자량: 283.41

이름 및 동의어

84254-97-71'-(Phenylmethyl)-(1,4'-bipiperidine)-4'-carbonitrileEINECS 282-544-01'-(Phenylmethyl)-[1,4'-bipiperidine]-4'-carbonitrileDTXSID80233172RefChem:408789DTXCID80155663282-544-01'-benzyl-[1,4'-bipiperidine]-4'-carbonitrile1'-Benzyl-1,4'-bipiperidine-4'-carbonitrile1-benzyl-4-piperidin-1-ylpiperidine-4-carbonitrileMFCD00800635

이름 더 보기

N-BENZYL-4-CYANO-4-(1-PIPERIDINO)-피페리딘,981-Benzyl-4-piperidino-4-piperidinecarbonitrile[1,4'-Bipiperidine]-4'-carbonitrile, 1'-(phenylmethyl)-1′-Benzyl-1,4′-bipiperidine-4′-carbonitrile, CAS 84254-97-7N-Benzyl-4-cyano-4-(1-piperidino)-piperidine1'-(Phenylmethyl)-(1,4'-bipiperidine)-4'-carbonitrile

N-Benzyl-4-cyano-4-(1-piperidino)-piperidine1-benzyl-4-(1-piperidyl)piperidine-4-carbonitrileSCHEMBL4031096N-BENZYL-4-CYANO-4-(1-PIPERIDINO)-PIPERIDINE, 98STL567666AKOS009986594AS-81830CS-0114788

데이터베이스 식별자

CAS: 84254-97-7
PubChem CID: 2733434
DTXSID: DTXSID80233172
EC Number: 282-544-0
Nikkaji: J23.954B

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 30.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 21
형식 전하: 0
복잡도: 363

물리화학적 성질

녹는점: 103 · 103-106°C
끓는 점: 415.96 °C · 415.96°C (rough estimate)
밀도: 0.9805 · 0.9805 (rough estimate)
증기압: 0 · 0-0Pa at 20-25℃
굴절률: 1.548 · 1.5480 (estimate)
저장 조건: 2 · 2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 6.7 · 6.70±0.10(Predicted)
색상: 흰색에서 황백색까지
LogP: 2 at · 2 at pH9

화학적 성질

Pale yellow crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]

P203, P261, P264, P270, P271, P272, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.