1-[3-(다이메틸아미노)프로필]피페라진

1-[3-(Dimethylamino)propyl]piperazine

HCID 2736234CAS 877-96-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN(C)CCCN1CCNCC1
InChIKey: YJRGRZJKGMBHIB-UHFFFAOYSA-N
분자식: C9H21N3
평균 분자량: 171.28 g/mol
단동위원소 질량: 171.17354767

이름 및 식별자

우선 이름: 1-[3-(Dimethylamino)propyl]piperazine
IUPAC: N,N-dimethyl-3-piperazin-1-ylpropan-1-amine
현지명: 1-[3-(다이메틸아미노)프로필]피페라진
영어명: 1-[3-(Dimethylamino)propyl]piperazine
분자식: C9H21N3
분자량: 171.28

이름 및 동의어

1-[3-(Dimethylamino)propyl]piperazine1-(3-(Dimethylamino)propyl)piperazineN,N-Dimethyl-1-piperazinepropanamineRefChem:423149627-165-7877-96-31-(3-dimethylaminopropyl)piperazineN,N-Dimethyl-3-(piperazin-1-yl)propan-1-amineN,N-dimethyl-3-piperazin-1-ylpropan-1-amineMFCD00082601dimethyl[3-(piperazin-1-yl)propyl]amine1-[3-(dimethylamino)-propyl]-piperazine

이름 더 보기

1-[3-(다이메틸아미노)프로필]피페라진RARECHEM AH CK 00901-(3-dimethylpropyl)piperazine1-[3-(Dimethylamino)-propyl]-piperN,N-DIMETHYL-3-PIPERAZINOPROPYLAMINE1-Piperazinepropanamine, N,N-dimethyl-1-(3-Dimethylaminopropyl)piperazine 97%1-(3-Dimethylaminopropyl)piperazine,97%1-[3-(Dimethylamino)prop-1-yl]piperazine

1-(3-Dimethylaminopropyl)-piperazine3-Dimethylaminopropylpiperazine1-[3-(Dimethylamino)propyl]piperazine, >=98.0% (GC)N,N-dimethyl-3-piperazin-1-yl-propan-1-amineN,N-dimethyl-N-[3-(1-piperazinyl)propyl]amineSCHEMBL165923SCHEMBL666678SCHEMBL7255951

데이터베이스 식별자

CAS: 877-96-3
PubChem CID: 2736234
DTXSID: DTXSID60371223
EC Number: 627-165-7

물성

구조 계산 물성

XLogP: 0
극성 표면적: 18.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 12
형식 전하: 0
복잡도: 108

물리화학적 성질

끓는 점: 77 °C · 77 °C
밀도: 0.91 g/ml · 0.91g/ml
굴절률: 20 · n20/D 1.478
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): 9.67 · 9.67±0.28(Predicted)
물리적 상태: 액체
색상: 옅은 노랑
BRN: 506940 · 506940
InChI: 1S/C9H21N3/c1-11(2)6-3-7-12-8-4-10-5-9-12/h10H,3-9H2,1-2H3
InChIKey: YJRGRZJKGMBHIB-UHFFFAOYSA-N
SMILES: CN(C)CCCN1CCNCC1

화학적 성질

Clear light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (90.9%): 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.