1-(2-azidoethyl)-4-methylpiperazine

• ChemBase ID: 273370
• Molecular Formular: C7H15N5
• Molecular Mass: 169.2275
• Monoisotopic Mass: 169.13274551
• SMILES: [N+](=[N-])=NCCN1CCN(CC1)C
• Canonical SMILES: CN1CCN(CC1)CCN=[N+]=[N-]
• InChI: InChI=1S/C7H15N5/c1-11-4-6-12(7-5-11)3-2-9-10-8/h2-7H2,1H3
• InChIKey: HTQPBMYIQDVJAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-azidoethyl)-4-methylpiperazine
• IUPAC Traditional name: 1-(2-azidoethyl)-4-methylpiperazine
• Synonyms: 1-(2-azidoethyl)-4-methylpiperazine

Database IDs

• MDL Number: MFCD14658128
• PubChem SID: 164329280
• PubChem CID: 46209976

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.6953413
• LogD (pH = 7.4): -0.9251854
• Log P: 0.16753146
• Molar Refractivity: 48.623 cm^3
• Polarizability: 18.211182 Å^3
• Polar Surface Area: 35.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.442

Product Information

• Purity: 95%