1-(3-Phenylpropyl)piperazine

HCID 796534CAS 55455-92-0

기본 정보

표준 SMILES: c1ccc(CCCN2CCNCC2)cc1
InChIKey: LOJCUYCKDGYLJH-UHFFFAOYSA-N
분자식: C13H20N2
평균 분자량: 204.31 g/mol
단동위원소 질량: 204.16264864

이름 및 식별자

우선 이름: 1-(3-Phenylpropyl)piperazine
IUPAC: 1-(3-phenylpropyl)piperazine
영어명: 1-(3-PHENYLPROPYL)PIPERAZINE
분자식: C13H20N2
분자량: 204.31

이름 및 동의어

1-(3-phenylpropyl)piperazine55455-92-0DTXSID60970795RefChem:424113DTXCID001398321639-327-41-(3-Phenyl-propyl)-piperazine435345-43-01-(3-phenylpropyl)-piperazineMFCD01075188(3-phenylpropyl)piperazinePiperazine,1-(3-phenylpropyl)-, hydrochloride (1:1)

이름 더 보기

TIMTEC-BB SBB003508RARECHEM AH CK 0164PhenylpropylpiperazinePiperazine, 1-(3-phenylpropyl)-1-(3-Phenylpropyl)piperazine 98%1-(3-PHENYLPROPYL)PIPERAZINE ISO 9001：2015 REACH

CHEMBL1437501-(3-Phenypropyl)piperazineBAS 04443811(3-phenylpropyl) piperazine1-(3phenylpropyl)piperazineTimTec1_007001Oprea1_121298Oprea1_779881

데이터베이스 식별자

CAS: 55455-92-0
PubChem CID: 796534
DTXSID: DTXSID60970795
ChEMBL: CHEMBL143750
EC Number: 639-327-4

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 15.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 15
형식 전하: 0
복잡도: 158

물리화학적 성질

끓는 점: 134 °C · 134 °C
밀도: 0.98 · 0.980±0.06 g/cm3(Predicted)
산도 계수 (pKa): 9.24 · 9.24±0.10(Predicted)
물리적 상태: solid
InChI: 1S/C13H20N2/c1-2-5-13(6-3-1)7-4-10-15-11-8-14-9-12-15/h1-3,5-6,14H,4,7-12H2
InChIKey: LOJCUYCKDGYLJH-UHFFFAOYSA-N
SMILES: C(CN1CCNCC1)Cc2ccccc2

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

안전 데이터

wgk: WGK 3
risk_code: 36/37/38-25
hazard_code: Xi,T
safety_code: 26-36/37/39-45
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects