methyl[(4-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)methyl]amine

• ChemBase ID: 77444
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: O1CCN(c2c1cc(cc2)CNC)C
• Canonical SMILES: CNCc1ccc2c(c1)OCCN2C
• InChI: InChI=1S/C11H16N2O/c1-12-8-9-3-4-10-11(7-9)14-6-5-13(10)2/h3-4,7,12H,5-6,8H2,1-2H3
• InChIKey: CWSXODDBZQHSTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(4-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)methyl]amine
• IUPAC Traditional name: methyl[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methyl]amine
• Synonyms: N-methyl-[(4-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)methyl]amine; 1-(3,4-Dihydro-4-methyl-2H-1,4-benzoxazin-7-yl)-N-methylmethylamine; 3,4-Dihydro-4-methyl-7-[(methylamino)methyl]-2H-1,4-benzoxazine 95%

Database IDs

• CAS Number: 937795-86-3
• MDL Number: MFCD09879900
• PubChem SID: 162042316
• PubChem CID: 24229457

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8800875
• LogD (pH = 7.4): -0.8922762
• Log P: 1.3104423
• Molar Refractivity: 58.2288 cm^3
• Polarizability: 22.14835 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Toxic/Harmful

Product Information

• Purity: 95%