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

• ChemBase ID: 34138
• Molecular Formular: C8H18N2O
• Molecular Mass: 158.24132
• Monoisotopic Mass: 158.14191321
• SMILES: C1OCCN(C1)C(CN)(C)C
• Canonical SMILES: NCC(N1CCOCC1)(C)C
• InChI: InChI=1S/C8H18N2O/c1-8(2,7-9)10-3-5-11-6-4-10/h3-7,9H2,1-2H3
• InChIKey: GFIBMQGRHYGHAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2-(morpholin-4-yl)propan-1-amine
• IUPAC Traditional name: 2-methyl-2-(morpholin-4-yl)propan-1-amine
• Synonyms: 2-Methyl-2-(4-morpholinyl)propylamine; 2-Methyl-2-morpholin-4-ylpropan-1-amine; 2-methyl-2-morpholinopropan-1-amine; (2-methyl-2-morpholin-4-ylpropyl)amine; 2-甲基-2-(4-吗啉基)丙胺

Database IDs

• CAS Number: 173336-43-1; 192329-94-5
• MDL Number: MFCD01821227
• PubChem SID: 160997445
• PubChem CID: 1989641

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.6703525
• LogD (pH = 7.4): -2.161439
• Log P: -0.1281631
• Molar Refractivity: 46.0694 cm^3
• Polarizability: 18.481222 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.377

Safety Information

• Storage Warning: Air Sensitive; IRRITANT
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2735
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 95%; 97+%; 98%