2-amino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid hydrochloride

• ChemBase ID: 813194
• Molecular Formular: C11H14ClNO2
• Molecular Mass: 227.68736
• Monoisotopic Mass: 227.07130637
• SMILES: Cl.c1cc2c(cc1)CCC(C2)(C(=O)O)N
• Canonical SMILES: OC(=O)C1(N)CCc2c(C1)cccc2.Cl
• InChI: InChI=1S/C11H13NO2.ClH/c12-11(10(13)14)6-5-8-3-1-2-4-9(8)7-11;/h1-4H,5-7,12H2,(H,13,14);1H
• InChIKey: DLLMYOUDVHEYSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid hydrochloride
• IUPAC Traditional name: 2-amino-3,4-dihydro-1H-naphthalene-2-carboxylic acid hydrochloride
• Synonyms: 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE-2-CARBOXYLIC ACID HYDROCHLORIDE

Database IDs

• CAS Number: 372143-98-1

CALCULATED PROPERTIES

• Acid pKa: 2.3531716
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.62453204
• LogD (pH = 7.4): -0.6261965
• Log P: -0.62440926
• Molar Refractivity: 52.9916 cm^3
• Polarizability: 20.838615 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%