3-(4-methylpiperazin-1-yl)propan-1-amine

• ChemBase ID: 11550
• Molecular Formular: C8H19N3
• Molecular Mass: 157.25656
• Monoisotopic Mass: 157.15789762
• SMILES: N1(CCN(CC1)C)CCCN
• Canonical SMILES: NCCCN1CCN(CC1)C
• InChI: InChI=1S/C8H19N3/c1-10-5-7-11(8-6-10)4-2-3-9/h2-9H2,1H3
• InChIKey: RGUABPVONIGVAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-methylpiperazin-1-yl)propan-1-amine
• IUPAC Traditional name: 3-(4-methylpiperazin-1-yl)propan-1-amine
• Synonyms: 3-(4-Methyl-piperazin-1-yl)-propylamine; 3-(4-methylpiperazin-1-yl)propan-1-amine; 1-Amino-3-(4-methylpiperazin-1-yl)propane; 1-(3-Aminoprop-1-yl)-4-methylpiperazine 98%; 3-(4-Methylpiperazin-1-yl)propylamine; 4-Methyl-1-piperazinepropylamine; 1-(3-Aminopropyl)-4-methylpiperazine; 1-(3-Aminopropyl)-4-methylpiperazine; 1-(3-氨丙基)-4-甲基哌嗪

Database IDs

• CAS Number: 4572-03-6
• EC Number: 224-954-4
• MDL Number: MFCD00014616
• Beilstein Number: 105964
• PubChem SID: 160974857
• PubChem CID: 78328

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.4409056
• LogD (pH = 7.4): -4.229522
• Log P: -0.69973505
• Molar Refractivity: 48.8534 cm^3
• Polarizability: 19.332188 Å^3
• Polar Surface Area: 32.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 113-114°C/13mm; 113-114°C/13mm
• Density: 0.924
• Refractive Index: 1.4820

Safety Information

• Storage Warning: Air Sensitive; Corrosive/Air Sensitive/Store under Argon; IRRITANT
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2735
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false; 是
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 98%