N-[(4-플루오로페닐)메틸]-1-메틸-4-피페리딘아민

4-(4-Fluorobenzylamino)-1-methylpiperidine

HCID 2846645

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 359878-47-0
표준 SMILES: CN1CCC(NCc2ccc(F)cc2)CC1
InChIKey: PLYWEOOWONUOBN-UHFFFAOYSA-N
분자식: C13H19FN2
평균 분자량: 222.3 g/mol
단동위원소 질량: 222.15322678

이름 및 식별자

우선 이름: 4-(4-Fluorobenzylamino)-1-methylpiperidine
IUPAC: N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine
현지명: N-[(4-플루오로페닐)메틸]-1-메틸-4-피페리딘아민
영어명: N-[(4-Fluorophenyl)methyl]-1-methyl-4-piperidinamine
분자식: C13H19FN2
분자량: 222.3

이름 및 동의어

4-(4-FLUOROBENZYLAMINO)-1-METHYLPIPERIDINEN-[(4-Fluorophenyl)methyl]-1-methyl-4-piperidinamineGZO2P453RXUNII-GZO2P453RXN-((4-Fluorophenyl)methyl)-1-methyl-4-piperidinamine(1-Methylpiperidin-4-yl)(4-fluorobenzyl)amineDTXSID403858484-Piperidinamine, N-((4-fluorophenyl)methyl)-1-methyl-4-Piperidinamine, N-[(4-fluorophenyl)methyl]-1-methyl-RefChem:97231DTXCID00336871810-466-4

이름 더 보기

N-[(4-플루오로페닐)메틸]-1-메틸-4-피페리딘아민N-[(4-FL-4-piperidinaminePimavanserin Impurity 1 HClN-(4-flurobenzyl)-1-methylpiperidin-4-Amine(4-fluorobenzyl)-(1-methylpiperidin-4-yl)amine

359878-47-0N-(4-fluorobenzyl)-1-methylpiperidin-4-amineN-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amineMFCD00979813Pimavanserin Impurity 1N-(4-Fluorobenzyl)-1-methyl-4-piperidinamineOprea1_331209SCHEMBL970899

데이터베이스 식별자

CAS: 359878-47-0
PubChem CID: 2846645
DTXSID: DTXSID40385848
UNII: GZO2P453RX
EC Number: 810-466-4

물성

구조 계산 물성

XLogP: 2
극성 표면적: 15.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 194

물리화학적 성질

끓는 점: 305 ℃ · 305℃
밀도: 1.07 · 1.07
인화점: 138 ℃ · 138℃
저장 조건: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 9.38 · 9.38±0.20(Predicted)
물리적 상태: 기름
색상: 연노랑
InChI: InChI=1S/C13H19FN2/c1-16-8-6-13(7-9-16)15-10-11-2-4-12(14)5-3-11/h2-5,13,15H,6-10H2,1H3
InChIKey: PLYWEOOWONUOBN-UHFFFAOYSA-N
SMILES: N1(C)CCC(NCC2=CC=C(F)C=C2)CC1

안전 및 규제

GHS 분류

GHS ClassificationNot Classified；Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.