morpholin-2-ylmethanamine

• ChemBase ID: 63876
• Molecular Formular: C5H12N2O
• Molecular Mass: 116.16158
• Monoisotopic Mass: 116.09496301
• SMILES: C1(CNCCO1)CN
• Canonical SMILES: NCC1CNCCO1
• InChI: InChI=1S/C5H12N2O/c6-3-5-4-7-1-2-8-5/h5,7H,1-4,6H2
• InChIKey: OXYALYJRWGRVAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: morpholin-2-ylmethanamine
• IUPAC Traditional name: morpholin-2-ylmethanamine
• Synonyms: (Morpholin-2-yl)methylamine; 2-(Aminomethyl)morpholine; 2-Morpholinemethanamine

Database IDs

• CAS Number: 116143-27-2
• MDL Number: MFCD03990581
• PubChem SID: 162029615
• PubChem CID: 4542027

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -5.9824257
• LogD (pH = 7.4): -3.471793
• Log P: -1.1485957
• Molar Refractivity: 31.3879 cm^3
• Polarizability: 12.9564 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant/Very Hygroscopic/Air Sensitive/Store under Argon
• TSCA Listed: false

Product Information

• Purity: >95%