4-(피롤리딘-1-일카르보닐)아닐린

4-(Pyrrolidin-1-ylcarbonyl)aniline

HCID 577800CAS 56302-41-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1ccc(C(=O)N2CCCC2)cc1
InChIKey: WDNQOCWBZBGFHU-UHFFFAOYSA-N
분자식: C11H14N2O
평균 분자량: 190.24 g/mol
단동위원소 질량: 190.11061307

이름 및 식별자

우선 이름: 4-(Pyrrolidin-1-ylcarbonyl)aniline
IUPAC: (4-aminophenyl)-pyrrolidin-1-ylmethanone
현지명: 4-(피롤리딘-1-일카르보닐)아닐린
영어명: 4-(PYRROLIDIN-1-YLCARBONYL)ANILINE
분자식: C11H14N2O
분자량: 190.24

이름 및 동의어

56302-41-14-(pyrrolidin-1-ylcarbonyl)anilineDTXSID00342018RefChem:289438DTXCID20293098673-492-3(4-aminophenyl)(pyrrolidin-1-yl)methanone4-(1-Pyrrolidinylcarbonyl)aniline(4-aminophenyl)(1-pyrrolidinyl)methanone4-(pyrrolidine-1-carbonyl)aniline(4-aminophenyl)-pyrrolidin-1-ylmethanone(4-Amino-phenyl)-pyrrolidin-1-yl-methanone

이름 더 보기

4-(피롤리딘-1-일카르보닐)아닐린4-carboxamidopyrrolidinophenyl-anilineMethanone, (4-aminophenyl)(1-pyrrolidinyl)-4-(pyrrolidin-1-ylcarbonyl)aniline(SALTDATA: FREE)

MFCD02046794(4-aminophenyl)-pyrrolidin-1-yl-methanone4-aminophenyl pyrrolidinyl ketone4-(Pyrrolidinocarbonyl)aniline(4-aminophenyl)pyrrolidin-1-yl-methanoneMLS000122032(4-aminobenzoyl)pyrrolidineN-p-aminobenzoyl pyrrolidine

데이터베이스 식별자

CAS: 56302-41-1
PubChem CID: 577800
DTXSID: DTXSID00342018
ChEMBL: CHEMBL1329163
EC Number: 673-492-3
Nikkaji: J1.310.822F

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 46.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 203

물리화학적 성질

녹는점: 181 · 181-183 °C
끓는 점: 391 · 391.0±25.0 °C(Predicted)
밀도: 1.195 · 1.195±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
산도 계수 (pKa): 3.02 · 3.02±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (75%): 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.