N,N-dimethyl-octahydro-2H-1,4-benzoxazin-7-amine

• ChemBase ID: 240827
• Molecular Formular: C10H20N2O
• Molecular Mass: 184.2786
• Monoisotopic Mass: 184.15756327
• SMILES: C1C2C(NCCO2)CCC1N(C)C
• Canonical SMILES: CN(C1CCC2C(C1)OCCN2)C
• InChI: InChI=1S/C10H20N2O/c1-12(2)8-3-4-9-10(7-8)13-6-5-11-9/h8-11H,3-7H2,1-2H3
• InChIKey: RGHFJEXYVWRXCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-octahydro-2H-1,4-benzoxazin-7-amine
• IUPAC Traditional name: N,N-dimethyl-octahydro-2H-1,4-benzoxazin-7-amine
• Synonyms: N,N-dimethyl-octahydro-2H-1,4-benzoxazin-7-amine

Database IDs

• MDL Number: MFCD22741179
• PubChem SID: 164296737
• PubChem CID: 71756641

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.155604
• LogD (pH = 7.4): -3.600161
• Log P: 0.25232401
• Molar Refractivity: 53.204 cm^3
• Polarizability: 21.43625 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.281

Product Information

• Purity: 95%