2-(4-methylpiperazin-1-yl)propan-1-amine

• ChemBase ID: 19233
• Molecular Formular: C8H19N3
• Molecular Mass: 157.25656
• Monoisotopic Mass: 157.15789762
• SMILES: N1(CCN(CC1)C)C(CN)C
• Canonical SMILES: NCC(N1CCN(CC1)C)C
• InChI: InChI=1S/C8H19N3/c1-8(7-9)11-5-3-10(2)4-6-11/h8H,3-7,9H2,1-2H3
• InChIKey: WQFHGCFNHAPPTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methylpiperazin-1-yl)propan-1-amine
• IUPAC Traditional name: 2-(4-methylpiperazin-1-yl)propan-1-amine
• Synonyms: 2-(4-methyl-1-piperazinyl)-1-propanamine; 2-(4-Methyl-piperazin-1-yl)-propylamine; 2-(4-methylpiperazin-1-yl)propan-1-amine

Database IDs

• CAS Number: 70717-54-3
• MDL Number: MFCD06446939
• PubChem SID: 160982540
• PubChem CID: 16641457

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.877842
• LogD (pH = 7.4): -3.128203
• Log P: -0.34311974
• Molar Refractivity: 48.4068 cm^3
• Polarizability: 19.332188 Å^3
• Polar Surface Area: 32.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.951

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%