decahydronaphthalen-2-amine

• ChemBase ID: 250795
• Molecular Formular: C10H19N
• Molecular Mass: 153.26456
• Monoisotopic Mass: 153.15174961
• SMILES: C12CC(N)CCC1CCCC2
• Canonical SMILES: NC1CCC2C(C1)CCCC2
• InChI: InChI=1S/C10H19N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h8-10H,1-7,11H2
• InChIKey: FFROQSBSJYRALS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: decahydronaphthalen-2-amine
• IUPAC Traditional name: decahydronaphthalen-2-amine
• Synonyms: decahydronaphthalen-2-amine

Database IDs

• MDL Number: MFCD07686048
• PubChem SID: 164306705
• PubChem CID: 232602

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.854586
• LogD (pH = 7.4): -0.5656361
• Log P: 2.1732614
• Molar Refractivity: 47.43 cm^3
• Polarizability: 19.244478 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.799

Product Information

• Purity: 95%