1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-amine

• ChemBase ID: 17670
• Molecular Formular: C12H17N
• Molecular Mass: 175.27008
• Monoisotopic Mass: 175.13609955
• SMILES: c12c(ccc(c1)C(C)N)CCCC2
• Canonical SMILES: CC(c1ccc2c(c1)CCCC2)N
• InChI: InChI=1S/C12H17N/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h6-9H,2-5,13H2,1H3
• InChIKey: YJZYMMDEDLLIIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-amine
• IUPAC Traditional name: 1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
• Synonyms: 1-(5,6,7,8-Tetrahydro-naphthalen-2-yl)-ethylamine; 1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine; 1-(5,6,7,8-tetrahydro-2-naphthalenyl)ethanamine

Database IDs

• CAS Number: 91562-48-0
• MDL Number: MFCD06655766
• PubChem SID: 160980977
• PubChem CID: 3163876

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.04217634
• LogD (pH = 7.4): 0.6607775
• Log P: 2.9678435
• Molar Refractivity: 56.4324 cm^3
• Polarizability: 22.071978 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 16 - 18°C
• Hydrophobicity(logP): 2.975

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%