4,6-dichloro-2,3-dihydro-1H-inden-1-amine

• ChemBase ID: 808616
• Molecular Formular: C9H9Cl2N
• Molecular Mass: 202.08046
• Monoisotopic Mass: 201.01120465
• SMILES: C1C(c2cc(cc(c2C1)Cl)Cl)N
• Canonical SMILES: Clc1cc(Cl)c2c(c1)C(N)CC2
• InChI: InChI=1S/C9H9Cl2N/c10-5-3-7-6(8(11)4-5)1-2-9(7)12/h3-4,9H,1-2,12H2
• InChIKey: CWQMXJLBEVRHSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dichloro-2,3-dihydro-1H-inden-1-amine
• IUPAC Traditional name: 4,6-dichloro-2,3-dihydro-1H-inden-1-amine
• Synonyms: 4,6-DICHLORO-2,3-DIHYDRO-1H-INDEN-1-AMINE

Database IDs

• CAS Number: 907973-35-7

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.13918123
• LogD (pH = 7.4): 0.77854896
• Log P: 2.851328
• Molar Refractivity: 51.7218 cm^3
• Polarizability: 20.308578 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%