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

• ChemBase ID: 17030
• Molecular Formular: C8H18N2O
• Molecular Mass: 158.24132
• Monoisotopic Mass: 158.14191321
• SMILES: N1(CC(N)(C)C)CCOCC1
• Canonical SMILES: CC(CN1CCOCC1)(N)C
• InChI: InChI=1S/C8H18N2O/c1-8(2,9)7-10-3-5-11-6-4-10/h3-7,9H2,1-2H3
• InChIKey: JCXYZQUYVNLCTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1-(morpholin-4-yl)propan-2-amine
• IUPAC Traditional name: 2-methyl-1-(morpholin-4-yl)propan-2-amine
• Synonyms: 2-methyl-1-morpholino-2-propanamine; 2-Methyl-1-morpholinopropan-2-amine; 1,1-Dimethyl-2-morpholin-4-yl-ethylamine; (1,1-dimethyl-2-morpholin-4-ylethyl)amine; 1,1-Dimethyl-2-morpholinoethylamine; 4-(2-Amino-2-methyl)propylmorpholine 97%

Database IDs

• CAS Number: 6105-75-5
• MDL Number: MFCD01714129
• PubChem SID: 160980337
• PubChem CID: 201497

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.6143422
• LogD (pH = 7.4): -2.4861557
• 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

Safety Information

• Storage Warning: Corrosive/Air Sensitive/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%