2-[(2S)-piperidin-2-yl]ethan-1-amine

• ChemBase ID: 795794
• Molecular Formular: C7H16N2
• Molecular Mass: 128.21534
• Monoisotopic Mass: 128.13134852
• SMILES: C(C[C@H]1NCCCC1)N
• Canonical SMILES: NCC[C@@H]1CCCCN1
• InChI: InChI=1S/C7H16N2/c8-5-4-7-3-1-2-6-9-7/h7,9H,1-6,8H2/t7-/m0/s1
• InChIKey: IEVJVQXLBZUEMH-ZETCQYMHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2S)-piperidin-2-yl]ethan-1-amine
• IUPAC Traditional name: 2-[(2S)-piperidin-2-yl]ethanamine
• Synonyms: (S)-2-(Piperidin-2-yl)ethanaMine

Database IDs

• CAS Number: 1309563-39-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.8583264
• LogD (pH = 7.4): -3.9500084
• Log P: -0.019769339
• Molar Refractivity: 39.3208 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%