1-(p-Tolyl)piperazine

HCID 83113CAS 39593-08-3

기본 정보

표준 SMILES: Cc1ccc(N2CCNCC2)cc1
InChIKey: ONEYFZXGNFNRJH-UHFFFAOYSA-N
분자식: C11H16N2
평균 분자량: 176.26 g/mol
단동위원소 질량: 176.13134851

이름 및 식별자

우선 이름: 1-(p-Tolyl)piperazine
IUPAC: 1-(4-methylphenyl)piperazine
영어명: 1-(4-METHYLPHENYL)PIPERAZINE
분자식: C11H16N2
분자량: 176.26

이름 및 동의어

1-(4-Methylphenyl)piperazine39593-08-31-(p-Tolyl)piperazineEINECS 254-534-6DTXSID90192706RefChem:428232DTXCID90115197254-534-6MFCD000407371-(4-methylphenyl)-piperazine1-p-Tolyl-piperazine4-methylphenylpiperazine

이름 더 보기

RARECHEM AH CK 0137N-(P-TOLYL)PIPERAZINEMethylphenylpiperazine1-(4-Methyphenyl)piperazineN-(4-Methylphenyl)piperazine1,4- Methyl Phenyl piperizinePiperazine, 1-(4-methylphenyl)-

CHEMBL165462NSC-1508494-(4-methylphenyl)piperazineN-4-Tolylpiperazine4-(4-Tolyl)piperazine4-methylphenyl piperazine78DG9CN7ZMSCHEMBL81940

데이터베이스 식별자

CAS: 39593-08-3
PubChem CID: 83113
DTXSID: DTXSID90192706
ChEMBL: CHEMBL165462
UNII: 78DG9CN7ZM
EC Number: 254-534-6
Nikkaji: J261.399I

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: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 144

물리화학적 성질

녹는점: 29 · 29-32 °C
끓는 점: 116 °C · 116 °C
밀도: 1.012 · 1.012
저장 조건: 2 · Storage temp. 2-8°C
물리적 상태: 저융점 고체
산도 계수 (pKa): 9 · 9.00±0.10(Predicted)
색상: 흰색에서 노란색으로
BRN: 139489 · 139489
InChI: 1S/C11H16N2/c1-10-2-4-11(5-3-10)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
InChIKey: ONEYFZXGNFNRJH-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1)N2CCNCC2

화학적 성질

White to yellow low melting solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (95.2%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.