기본 정보
- CAS
860027-50-5- 표준 SMILES
c1ccc(CN2CCNCC2)cc1- InChIKey
IQXXEPZFOOTTBA-UHFFFAOYSA-N- 분자식
- C11H16N2
- 평균 분자량
- 176.26 g/mol
개요
1-benzylpiperazine is a tertiary amino compound that is piperazine substituted by a benzyl group at position 1. It is a serotonergic agonist used as a recreational drug. It has a role as a psychotropic drug, a xenobiotic, a serotonergic agonist and an environmental contaminant.
이름 및 식별자
- 우선 이름
- 1-Benzylpiperazine
- IUPAC
- 1-benzylpiperazine
- 현지명
- 1-벤질피페라진
- 영어명
- 1-(Phenylmethyl)piperazine
- 분자식
- C11H16N2
- 분자량
- 176.26
이름 및 동의어
1-BenzylpiperazineBenzylpiperazine2759-28-6N-benzylpiperazine4-BenzylpiperazinePiperazine, 1-(phenylmethyl)-3UG152ZU0ENSC-40889J149.807JDTXSID0022197CHEBI:83537BZP cpd
이름 더 보기
1-벤질피페라진1-(페닐메틸)피페라진1-Benzylpiprazine1-(Phenylmethyl)piperazine ISO 9001：2015 REACHPiperazine,1-(phenylmethyl)-, labeled with deuterium (9CI)
RefChem:907515Egyt-2760DTXCID902197220-423-61-(phenylmethyl)piperazine860027-50-5Piperazine, 1-benzyl-1-Benzyl-piperazine
데이터베이스 식별자
- CAS
860027-50-5- ChEMBL
CHEMBL113600- ChEBI
CHEBI:83537- UNII
- 3UG152ZU0E
- EC Number
- 220-423-6
- Nikkaji
- J149.807J
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 15.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 135
실험 및 물리화학적 성질
Drugs
DEA NFLIS-Drug Category -> Piperazines (Stimulant)
DEA Schedule I Controlled Substance -> Stimulants
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
Human DrugsPharmaceuticals
Collision Cross Section138.8 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated]
안전 및 규제
GHS 분류
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 4 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
DEA schedule I controlled substance
Status: Active Update: 24-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18709
Piperazine, 1-(phenylmethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Corr. 1B (100%)
화학 및 산업
용도 및 제조
Use ClassificationPharmaceuticals
General Manufacturing InformationPiperazine, 1-(phenylmethyl)-: ACTIVE
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