1-ethylpiperidin-3-amine

• ChemBase ID: 17869
• Molecular Formular: C7H16N2
• Molecular Mass: 128.21534
• Monoisotopic Mass: 128.13134852
• SMILES: N1(CC(CCC1)N)CC
• Canonical SMILES: CCN1CCCC(C1)N
• InChI: InChI=1S/C7H16N2/c1-2-9-5-3-4-7(8)6-9/h7H,2-6,8H2,1H3
• InChIKey: WAKUKXKZEXFXJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethylpiperidin-3-amine
• IUPAC Traditional name: 3-piperidinamine, 1-ethyl-
• Synonyms: 1-Ethyl-piperidin-3-ylamine; 1-Ethylpiperidin-3-amine 97%; 1-ethyl-3-piperidinamine; 1-ethylpiperidin-3-amine; 1-Ethyl-3-piperidineamine

Database IDs

• CAS Number: 6789-94-2
• MDL Number: MFCD00044587
• PubChem SID: 160981176
• PubChem CID: 98094

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.7383003
• LogD (pH = 7.4): -2.4741344
• Log P: 0.21555814
• Molar Refractivity: 39.8977 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.783

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%