1-n-프로필피페라진 디하이드로브로마이드

N-Propylpiperazinium dibromide

HCID 3085288CAS 64262-23-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Br.Br.CCCN1CCNCC1
InChIKey: YTPQLWVHCBATKO-UHFFFAOYSA-N
분자식: C7H18Br2N2
평균 분자량: 290.04 g/mol
단동위원소 질량: 287.98367278

이름 및 식별자

우선 이름: N-Propylpiperazinium dibromide
IUPAC: 1-propylpiperazine;dihydrobromide
현지명: 1-n-프로필피페라진 디하이드로브로마이드
영어명: 1-n-Propylpiperazine dihydrobromide
분자식: C7H18Br2N2
분자량: 290.04

이름 및 동의어

64262-23-3N-Propylpiperazinium dibromideEINECS 264-759-1DTXSID60214484RefChem:164169DTXCID60136975264-759-11-Propylpiperazine Dihydrobromide1-N-Propylpiperazine DihydrobromideC7H18Br2N2MFCD000519921-propylpiperazine;dihydrobromide

이름 더 보기

1-n-프로필피페라진디하이드로브로마이드1-Propyl-piperazine 2HBr1-N-PROPYLPIPERAZINE HYDROBROMIDE1-PropylpiperazineDihydrobromide>1-n-Propylpiperazine dihydrobromide1-(1-Propyl)piperazine dihydrobromide1-propyl-Piperazine hydrobromide (1:2)

1-N-PROPYLPIPERAZINE 2HBRPiperazine, 1-propyl-, dihydrobromideN-propylpiperazine dihydrobromideSCHEMBL4522461-PropylpiperazineDihydrobromide1-n-propyl-piperazine dihydrobromideP1645(2-Phenyloxazol-4-yl)-methanol

데이터베이스 식별자

CAS: 64262-23-3
PubChem CID: 3085288
DTXSID: DTXSID60214484
UNII: Y5EFZ3XVD3
EC Number: 264-759-1

물성

구조 계산 물성

극성 표면적: 15.3 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 67.3

물리화학적 성질

녹는점: 259.5 · 259.5-264.5 °C(lit.)
저장 조건: Inert atmosphere,Room Temperature
용해도: 50 mg/mL, · 물: 용해성50mg/mL, 투명, 무색
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
수용성: 50 mg/mL, · water: soluble 50mg/mL, clear, colorless
BRN: 3678528 · 3678528
InChI: 1S/C7H16N2.2BrH/c1-2-5-9-6-3-8-4-7-9;;/h8H,2-7H2,1H3;2*1H
InChIKey: YTPQLWVHCBATKO-UHFFFAOYSA-N
SMILES: Br.Br.CCCN1CCNCC1

화학적 성질

slightly yellow to light beige crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29335995
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도1-n-Propylpiperazine dihydrobromide was used in the synthesis of amidines and sulfonamides of 5-and 6-amino-2,3-bis(4-alkyl-1-piperazazinyl)quinoxalines.

일반 설명1-n-Propylpiperazine dihydrobromide reacts with potassium thiocyanate to yield 1-(4-n-propyl)piperazine thioamide.