1-(3-아미노프로필)-4-메틸피페라진

1-(3-Aminopropyl)-4-methylpiperazine

HCID 78328CAS 4572-03-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN1CCN(CCCN)CC1
InChIKey: RGUABPVONIGVAT-UHFFFAOYSA-N
분자식: C8H19N3
평균 분자량: 157.26 g/mol
단동위원소 질량: 157.15789761

이름 및 식별자

우선 이름: 1-(3-Aminopropyl)-4-methylpiperazine
IUPAC: 3-(4-methylpiperazin-1-yl)propan-1-amine
현지명: 1-(3-아미노프로필)-4-메틸피페라진
영어명: 1-(3-Aminopropyl)-4-methylpiperazine
분자식: C8H19N3
분자량: 157.26

이름 및 동의어

4572-03-61-(3-Aminopropyl)-4-methylpiperazine1-Piperazinepropanamine, 4-methyl-NSC 60215DTXSID0063527EINECS 224-954-4N-(.gamma.-Aminopropyl)-N'-methylpiperazineRefChem:74276DTXCID7040445N-(gamma-Aminopropyl)-N'-methylpiperazineRGUABPVONIGVAT-UHFFFAOYSA-N3-(4-methylpiperazin-1-yl)propan-1-amine

이름 더 보기

1-(3-아미노프로필)-4-메틸피페라진4-Methyl-1-piperazinepropanamine 3HClAKOS BC-0592AKOS B024994RARECHEM AL BW 2461ART-CHEM-BB B024994TIMTEC-BB SBB0072891-(CYCLOPROPYLMETHYL)PIPERAZIN4-methyl-1-piperazinepropanamin

MFCD000146163-(4-Methyl-piperazin-1-yl)-propylamine3-(4-Methyl-1-piperazinyl)propylamineNSC602154-(3-Aminopropyl)-1-methylpiperazine3-(4-Methylpiperazin-1-yl)propylamine4-methyl-1-piperazinepropanamineN-Methyl-N'-(3-aminopropyl)piperazine

데이터베이스 식별자

CAS: 4572-03-6
PubChem CID: 78328
DTXSID: DTXSID0063527
ChEMBL: CHEMBL158701
EC Number: 224-954-4
Nikkaji: J297.827J

물성

구조 계산 물성

XLogP: -0.8
극성 표면적: 32.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 97.5

물리화학적 성질

끓는 점: 113 · 113-114°C 13mm
밀도: 0 · 0,924 g/cm3
굴절률: 1.481 · 1.4810
인화점: 113 · 113-114°C/13mm
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
산도 계수 (pKa): 10.39 · 10.39±0.10(Predicted)
BRN: 105964 · 105964
InChI: InChI=1S/C8H19N3/c1-10-5-7-11(8-6-10)4-2-3-9/h2-9H2,1H3
InChIKey: RGUABPVONIGVAT-UHFFFAOYSA-N
SMILES: N1(CCCN)CCN(C)CC1
EPA: 1 · 1-Piperazinepropanamine, 4-methyl- (4572-03-6)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (85.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P337+P317, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 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 CategoriesSkin Corr. 1B (85.7%)

안전 데이터

tsca: TSCA listed
ridadr: 2735
HS 번호: 29335990
risk_code: 34
hazard_code: Xi
safety_code: 26-36/37/39-45
포장분류: III
위험 등급: 8

화학 및 산업

용도 및 제조

General Manufacturing Information1-Piperazinepropanamine, 4-methyl-: ACTIVE

응용 분야

용도1-(3-Aminopropyl)-4-methylpiperazine is used as a precursor in organic synthesis for the preparation of furan-2-carboxylic acid [3-(4-methyl-piperazin-1-yl)-propyl]-amide by reacting with furan-2-carbonyl chloride.