1-피페라진부탄아민,4-메틸-(9CI)

4-(4-Methylpiperazin-1-yl)butan-1-amine

HCID 6484192CAS 4553-32-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN1CCN(CCCCN)CC1
InChIKey: NXKRSMDVDRFSBV-UHFFFAOYSA-N
분자식: C9H21N3
평균 분자량: 171.28 g/mol
단동위원소 질량: 171.17354767

이름 및 식별자

우선 이름: 4-(4-Methylpiperazin-1-yl)butan-1-amine
IUPAC: 4-(4-methylpiperazin-1-yl)butan-1-amine
현지명: 1-피페라진부탄아민,4-메틸-(9CI)
영어명: 1-Piperazinebutanamine,4-methyl-(9CI)
분자식: C9H21N3
분자량: 171.28

이름 및 동의어

4-(4-methylpiperazin-1-yl)butan-1-amineRefChem:514434815-375-34553-32-64-(4-Methyl-piperazin-1-yl)-butylamineMFCD064468861-Piperazinebutanamine,4-methyl-(9CI)1-(4-Amino-1-butyl)-4-methyl-piperazine4-(4-methylpiperazinyl)butylamine1-Piperazinebutanamine,4-methyl-4-Methyl-1-piperazinebutanamineSCHEMBL856408

이름 더 보기

1-피페라진부탄아민,4-메틸-(9CI)1-(4-Amino-1-butyl)-4-methyl-piper1-(4-Amino-1-butyl)-4-methyl-piperazine, 98%

SCHEMBL4398831DTXSID30424412NXKRSMDVDRFSBV-UHFFFAOYSA-N1-Piperazinebutanamine, 4-methyl-SBB0105291-(4-aminobutyl)-4-methylpiperazine4-(4-methylpiperazin-1-yl)butanamineAKOS000152446

데이터베이스 식별자

CAS: 4553-32-6
PubChem CID: 6484192
DTXSID: DTXSID30424412
EC Number: 815-375-3

물성

구조 계산 물성

XLogP: -0.2
극성 표면적: 32.5 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: 130 °C · 130 °C(Press: 18 Torr)
밀도: 0.936 · 0.936±0.06 g/cm3(Predicted)
산도 계수 (pKa): 10.56 · 10.56±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.