3-(2,6-dimethylmorpholin-4-yl)propan-1-amine

• ChemBase ID: 59402
• Molecular Formular: C9H20N2O
• Molecular Mass: 172.2679
• Monoisotopic Mass: 172.15756327
• SMILES: N1(CC(OC(C1)C)C)CCCN
• Canonical SMILES: NCCCN1CC(C)OC(C1)C
• InChI: InChI=1S/C9H20N2O/c1-8-6-11(5-3-4-10)7-9(2)12-8/h8-9H,3-7,10H2,1-2H3
• InChIKey: NIFZHABTMWBHTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,6-dimethylmorpholin-4-yl)propan-1-amine
• IUPAC Traditional name: 3-(2,6-dimethylmorpholin-4-yl)propan-1-amine
• Synonyms: [3-(2,6-Dimethylmorpholin-4-yl)propyl]amine; 3-(2,6-dimethylmorpholin-4-yl)propan-1-amine

Database IDs

• CAS Number: 91551-59-6
• MDL Number: MFCD08445210
• PubChem SID: 162064165
• PubChem CID: 10607302

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.77784
• LogD (pH = 7.4): -2.7821095
• Log P: 0.06779499
• Molar Refractivity: 50.7154 cm^3
• Polarizability: 20.324642 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.843

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%