dimethyl(morpholin-2-ylmethyl)amine

• ChemBase ID: 271422
• Molecular Formular: C7H16N2O
• Molecular Mass: 144.21474
• Monoisotopic Mass: 144.12626314
• SMILES: N1CC(OCC1)CN(C)C
• Canonical SMILES: CN(CC1OCCNC1)C
• InChI: InChI=1S/C7H16N2O/c1-9(2)6-7-5-8-3-4-10-7/h7-8H,3-6H2,1-2H3
• InChIKey: KNCQHMMKDOIHRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(morpholin-2-ylmethyl)amine
• IUPAC Traditional name: dimethyl(morpholin-2-ylmethyl)amine
• Synonyms: dimethyl(morpholin-2-ylmethyl)amine; N,N-Dimethyl-1-(morpholin-2-yl)methanamine

Database IDs

• CAS Number: 122894-56-8
• MDL Number: MFCD03990577
• PubChem SID: 164327332
• PubChem CID: 3401489

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.4779897
• LogD (pH = 7.4): -1.933294
• Log P: -0.33296734
• Molar Refractivity: 41.4572 cm^3
• Polarizability: 16.638529 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.146

Product Information

• Purity: 95%; 95+%