2-amino-3-methoxy-2-methylpropanenitrile

• ChemBase ID: 238431
• Molecular Formular: C5H10N2O
• Molecular Mass: 114.1457
• Monoisotopic Mass: 114.07931295
• SMILES: N#CC(N)(COC)C
• Canonical SMILES: CC(C#N)(COC)N
• InChI: InChI=1S/C5H10N2O/c1-5(7,3-6)4-8-2/h4,7H2,1-2H3
• InChIKey: ZCDCBMIBQMEIQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-3-methoxy-2-methylpropanenitrile
• IUPAC Traditional name: 2-amino-3-methoxy-2-methylpropanenitrile
• Synonyms: 2-amino-3-methoxy-2-methylpropanenitrile

Database IDs

• MDL Number: MFCD16135256
• PubChem SID: 164294341
• PubChem CID: 54539493

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3148093
• LogD (pH = 7.4): -0.5217883
• Log P: -0.49178
• Molar Refractivity: 30.4848 cm^3
• Polarizability: 12.012002 Å^3
• Polar Surface Area: 59.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.196

Product Information

• Purity: 95%