1,2,3,4-tetrahydronaphthalene-1-carboximidamide hydrochloride

• ChemBase ID: 236216
• Molecular Formular: C11H15ClN2
• Molecular Mass: 210.7032
• Monoisotopic Mass: 210.09237617
• SMILES: C1(C(=N)N)c2c(CCC1)cccc2.Cl
• Canonical SMILES: NC(=N)C1CCCc2c1cccc2.Cl
• InChI: InChI=1S/C11H14N2.ClH/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;/h1-2,4,6,10H,3,5,7H2,(H3,12,13);1H
• InChIKey: GRWJGHPPVNBLJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetrahydronaphthalene-1-carboximidamide hydrochloride
• IUPAC Traditional name: 1,2,3,4-tetrahydronaphthalene-1-carboximidamide hydrochloride
• Synonyms: 1,2,3,4-tetrahydronaphthalene-1-carboximidamide hydrochloride

Database IDs

• MDL Number: MFCD22196537
• PubChem SID: 164292126
• PubChem CID: 71755662

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.50430554
• LogD (pH = 7.4): -0.5024911
• Log P: 1.9111301
• Molar Refractivity: 64.1964 cm^3
• Polarizability: 20.604433 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.477

Product Information

• Purity: 95%