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

• ChemBase ID: 75875
• Molecular Formular: C9H13N3O
• Molecular Mass: 179.21902
• Monoisotopic Mass: 179.10586205
• SMILES: N1(CCOc2c1ncc(c2)CN)C
• Canonical SMILES: NCc1cnc2c(c1)OCCN2C
• InChI: InChI=1S/C9H13N3O/c1-12-2-3-13-8-4-7(5-10)6-11-9(8)12/h4,6H,2-3,5,10H2,1H3
• InChIKey: OGPGKFFHFGZOBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 915707-59-4
• MDL Number: MFCD09065018
• PubChem SID: 162040793
• PubChem CID: 24229650

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.7166412
• LogD (pH = 7.4): -1.54095
• Log P: 0.25464702
• Molar Refractivity: 51.6108 cm^3
• Polarizability: 19.407091 Å^3
• Polar Surface Area: 51.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 90%