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

• ChemBase ID: 19230
• Molecular Formular: C7H16N2O
• Molecular Mass: 144.21474
• Monoisotopic Mass: 144.12626314
• SMILES: N1(C(CN)C)CCOCC1
• Canonical SMILES: NCC(N1CCOCC1)C
• InChI: InChI=1S/C7H16N2O/c1-7(6-8)9-2-4-10-5-3-9/h7H,2-6,8H2,1H3
• InChIKey: PKTHUBCDDJVKKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)propan-1-amine
• IUPAC Traditional name: 2-(morpholin-4-yl)propan-1-amine
• Synonyms: 2-(4-morpholinyl)-1-propanamine; 2-Morpholin-4-yl-propylamine; 2-morpholin-4-ylpropan-1-amine

Database IDs

• CAS Number: 1005-04-5
• MDL Number: MFCD06446941
• PubChem SID: 160982537
• PubChem CID: 16641454

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.7389195
• LogD (pH = 7.4): -2.3881085
• 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%