2-methyl-2-(piperidin-1-yl)propan-1-amine

• ChemBase ID: 17009
• Molecular Formular: C9H20N2
• Molecular Mass: 156.2685
• Monoisotopic Mass: 156.16264865
• SMILES: N1(C(CN)(C)C)CCCCC1
• Canonical SMILES: NCC(N1CCCCC1)(C)C
• InChI: InChI=1S/C9H20N2/c1-9(2,8-10)11-6-4-3-5-7-11/h3-8,10H2,1-2H3
• InChIKey: AIJCTHFQONDNCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2-(piperidin-1-yl)propan-1-amine
• IUPAC Traditional name: 2-methyl-2-(piperidin-1-yl)propan-1-amine
• Synonyms: 2-methyl-2-piperidin-1-ylpropan-1-amine; 2-methyl-2-(1-piperidinyl)-1-propanamine; 2-Methyl-2-piperidin-1-yl-propylamine; 2-2(2-DIMETHYLAMINOETHYL)PIPERIDINE

Database IDs

• CAS Number: 54151-73-4
• MDL Number: MFCD01821228
• PubChem SID: 160980316
• PubChem CID: 1713118

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9660869
• LogD (pH = 7.4): -1.8331507
• Log P: 0.9407035
• Molar Refractivity: 49.1369 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 188 - 191°C
• Hydrophobicity(logP): 1.591

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%

DETAILS

MP Biomedicals - 05205112

MP Biomedicals Rare Chemical collection