6-bromo-N,N-dimethylquinazolin-2-amine

• ChemBase ID: 67172
• Molecular Formular: C10H10BrN3
• Molecular Mass: 252.1105
• Monoisotopic Mass: 251.00580934
• SMILES: n1c(ncc2cc(ccc12)Br)N(C)C
• Canonical SMILES: Brc1ccc2c(c1)cnc(n2)N(C)C
• InChI: InChI=1S/C10H10BrN3/c1-14(2)10-12-6-7-5-8(11)3-4-9(7)13-10/h3-6H,1-2H3
• InChIKey: GNIGSEMMWYBXQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-N,N-dimethylquinazolin-2-amine
• IUPAC Traditional name: 6-bromo-N,N-dimethylquinazolin-2-amine
• Synonyms: 6-Bromo-N,N-dimethyl-2-quinazolinamine

Database IDs

• CAS Number: 882670-78-2
• MDL Number: MFCD11040208
• PubChem SID: 162032908
• PubChem CID: 53438815

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.979665
• LogD (pH = 7.4): 2.9806328
• Log P: 2.980645
• Molar Refractivity: 60.7979 cm^3
• Polarizability: 23.57267 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%