1-(1-Phenylethyl)piperazine

HCID 2737134

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 69628-75-7
표준 SMILES: CC(c1ccccc1)N1CCNCC1
InChIKey: PYBNQKSXWAIBKN-UHFFFAOYSA-N
분자식: C12H18N2
평균 분자량: 190.28 g/mol
단동위원소 질량: 190.14699858

이름 및 식별자

우선 이름: 1-(1-Phenylethyl)piperazine
IUPAC: 1-(1-phenylethyl)piperazine
영어명: 1-(2-Phenylethyl)piperazine
분자식: C12H18N2
분자량: 190.28

이름 및 동의어

1-(1-Phenylethyl)piperazine69628-75-7EINECS 274-057-7DTXSID50989730RefChem:73920DTXCID80893654274-057-7436099-96-61-(1-Phenylethyl)-piperazineMFCD00040738Piperazine,1-(1-phenylethyl)-, hydrochloride (1:1)759457-60-8

이름 더 보기

1-PHENETHYLPIPERAZINEAKOS BBS-00003639RARECHEM AH CK 0154Phenylethylpiperazine1-(2-Phenylethyl)piperazineN-(2-PHENYLETHYL)PIPERAZINEPiperazine, 1-(1-phenylethyl)-1-(1-Phenylethyl)piperazine 97%[1-(Piperazin-1-yl)ethyl]benzene1-(1-Phenylethyl)-piperazine ,98%

(phenylethyl)piperazine1-[(1R)-Phenylethyl]piperazine773848-51-41-(1-Phenyl-ethyl)-piperazine1-(1-phenylethyl)piperizineSCHEMBL427901-(1-phenylethyl) piperizineSCHEMBL1855360

데이터베이스 식별자

CAS: 69628-75-7
PubChem CID: 2737134
DTXSID: DTXSID50989730
EC Number: 274-057-7
Nikkaji: J318.012C

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 15.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 158

물리화학적 성질

끓는 점: 276 °C · 276 °C(lit.)
밀도: 1.006 g/mL · >1.006 g/mL at 20 °C(lit.)
굴절률: 20 · n20/D 1.5430(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
물리적 상태: 액체
산도 계수 (pKa): 9.11 · 9.11±0.10(Predicted)
색상: 투명한
InChI: 1S/C12H18N2/c1-11(12-5-3-2-4-6-12)14-9-7-13-8-10-14/h2-6,11,13H,7-10H2,1H3
InChIKey: PYBNQKSXWAIBKN-UHFFFAOYSA-N
SMILES: CC(N1CCNCC1)c2ccccc2

화학적 성질

Colorless to light yellow oily liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.