4-(4-벤질피페라지노)아닐린

4-(4-Benzylpiperazin-1-yl)aniline

HCID 737259CAS 16154-69-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1
InChIKey: PZWVVLZWQWIEAV-UHFFFAOYSA-N
분자식: C17H21N3
평균 분자량: 267.37 g/mol
단동위원소 질량: 267.17354768

이름 및 식별자

우선 이름: 4-(4-Benzylpiperazin-1-yl)aniline
IUPAC: 4-(4-benzylpiperazin-1-yl)aniline
현지명: 4-(4-벤질피페라지노)아닐린
영어명: 4-(4-Benzylpiperazino)aniline
분자식: C17H21N3
분자량: 267.37

이름 및 동의어

4-(4-benzylpiperazin-1-yl)anilineRefChem:513845858-007-716154-69-14-(4-Benzylpiperazin-1-yl)phenylamine4-(4-Benzylpiperazino)anilineMFCD00172704Benzenamine, 4-[4-(phenylmethyl)-1-piperazinyl]-C17H21N34-(4-Benzyl-piperazin-1-yl)aniline4-(4-Benzyl-piperazin-1-yl)-phenylamine4-[4-benzylpiperazinyl]phenylamine

이름 더 보기

4-(4-벤질피페라지노)아닐린AKOS B033035AKOS BB-8555ASISCHEM W57184TIMTEC-BB SBB0101024-(4-benzylpiperazino)phenylamine1-(4-AMINOPHENYL)-4-BENZYLPIPERAZINE4-(4-Benzylpiperazin-1-yl)phenylamine95%4-[4-(phenylmethyl)piperazin-1-yl]aniline

4-[4-(phenylmethyl)-1-piperazinyl)benzeneamine4-[4-(phenylmethyl)-1-piperazinyl]benzeneamineOprea1_057729Oprea1_6806134-(N-benzylpiperazino)anilineSCHEMBL654308PZWVVLZWQWIEAV-UHFFFAOYSA-N4-(4-benzyl-1-piperazinyl)aniline

데이터베이스 식별자

CAS: 16154-69-1
PubChem CID: 737259
EC Number: 858-007-7

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 32.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 20
형식 전하: 0
복잡도: 272

물리화학적 성질

녹는점: 140 · 140-142°C
끓는 점: 446.3 · 446.3±45.0 °C(Predicted)
밀도: 1.145 · 1.145±0.06 g/cm3(Predicted)
저장 조건: Hygroscopic, Refrigerator, under inert atmosphere
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 7.83 · 7.83±0.10(Predicted)
물리적 상태: 고체
색상: 갈색
InChI: 1S/C17H21N3/c18-16-6-8-17(9-7-16)20-12-10-19(11-13-20)14-15-4-2-1-3-5-15/h1-9H,10-14,18H2
InChIKey: PZWVVLZWQWIEAV-UHFFFAOYSA-N
SMILES: Nc1ccc(cc1)N2CCN(CC2)Cc3ccccc3

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.