1-benzylguanidine

• ChemBase ID: 308662
• Molecular Formular: C8H11N3
• Molecular Mass: 149.19304
• Monoisotopic Mass: 149.09529737
• SMILES: C(=N)(NCc1ccccc1)N
• Canonical SMILES: NC(=N)NCc1ccccc1
• InChI: InChI=1S/C8H11N3/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,9,10,11)
• InChIKey: ABSNGNUGFQIDDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzylguanidine
• IUPAC Traditional name: guanidine, benzyl-
• Synonyms: N-benzylguanidine

Database IDs

• CAS Number: 2211-57-6
• MDL Number: MFCD00461648

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.6502007
• LogD (pH = 7.4): -1.6490582
• Log P: 0.76524353
• Molar Refractivity: 55.246 cm^3
• Polarizability: 17.007717 Å^3
• Polar Surface Area: 61.9 Å^2