1-(morpholin-4-yl)propan-2-amine

• ChemBase ID: 24723
• Molecular Formular: C7H16N2O
• Molecular Mass: 144.21474
• Monoisotopic Mass: 144.12626314
• SMILES: N1(CC(N)C)CCOCC1
• Canonical SMILES: CC(CN1CCOCC1)N
• InChI: InChI=1S/C7H16N2O/c1-7(8)6-9-2-4-10-5-3-9/h7H,2-6,8H2,1H3
• InChIKey: SWZKXIPDGAAYKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(morpholin-4-yl)propan-2-amine
• IUPAC Traditional name: 1-(morpholin-4-yl)propan-2-amine
• Synonyms: 1-(4-Morpholinyl)-2-propanamine; 1-Methyl-2-morpholin-4-ylethylamine; 1-(4-morpholinyl)-2-propanamine

Database IDs

• CAS Number: 50998-05-5
• MDL Number: MFCD00014621
• PubChem SID: 160988030
• PubChem CID: 170951

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.7226593
• LogD (pH = 7.4): -2.5627022
• Log P: -0.40873978
• Molar Refractivity: 41.4312 cm^3
• Polarizability: 16.638529 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.022

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C7H16N2O

DETAILS

Sigma Aldrich - CBR00001

Other Notes
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Legal Information
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