methyl({4-methyl-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-7-yl}methyl)amine

• ChemBase ID: 76031
• Molecular Formular: C10H15N3O
• Molecular Mass: 193.2456
• Monoisotopic Mass: 193.12151212
• SMILES: O1CCN(c2c1cc(cn2)CNC)C
• Canonical SMILES: CNCc1cnc2c(c1)OCCN2C
• InChI: InChI=1S/C10H15N3O/c1-11-6-8-5-9-10(12-7-8)13(2)3-4-14-9/h5,7,11H,3-4,6H2,1-2H3
• InChIKey: SMECUBWISXUYSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({4-methyl-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-7-yl}methyl)amine
• IUPAC Traditional name: methyl({4-methyl-2H,3H-pyrido[3,2-b][1,4]oxazin-7-yl}methyl)amine
• Synonyms: N-methyl(4-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)methylamine; N-Methyl-1-(3,4-dihydro-4-methyl-2H-pyrido[3,2-b][1,4]oxazin-7-yl)methylamine; 3,4-Dihydro-4-methyl-7-[(methylamino)methyl]-2H-pyrido[3,2-b][1,4]oxazine 97%

Database IDs

• CAS Number: 921938-85-4
• MDL Number: MFCD09817509
• PubChem SID: 162040949
• PubChem CID: 24229654

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.4443583
• LogD (pH = 7.4): -1.1057435
• Log P: 0.6872274
• Molar Refractivity: 56.3854 cm^3
• Polarizability: 21.247063 Å^3
• Polar Surface Area: 37.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 97%