1-methyl-1-(oxolan-2-ylmethyl)guanidine

• ChemBase ID: 237058
• Molecular Formular: C7H15N3O
• Molecular Mass: 157.2135
• Monoisotopic Mass: 157.12151212
• SMILES: C(=N)(N(CC1OCCC1)C)N
• Canonical SMILES: NC(=N)N(CC1CCCO1)C
• InChI: InChI=1S/C7H15N3O/c1-10(7(8)9)5-6-3-2-4-11-6/h6H,2-5H2,1H3,(H3,8,9)
• InChIKey: NKMAMBASECUGKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1-(oxolan-2-ylmethyl)guanidine
• IUPAC Traditional name: 1-methyl-1-(oxolan-2-ylmethyl)guanidine
• Synonyms: 1-methyl-1-(oxolan-2-ylmethyl)guanidine

Database IDs

• MDL Number: MFCD14665416
• PubChem SID: 164292968
• PubChem CID: 61432483

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.694112
• LogD (pH = 7.4): -2.6932335
• Log P: -0.27866453
• Molar Refractivity: 54.1828 cm^3
• Polarizability: 16.603872 Å^3
• Polar Surface Area: 62.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.199

Product Information

• Purity: 95%