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84347-18-2 | 4-Quinazolinamine, 2-chloro-N-(4-chlorobutyl)-N-(2-methylpropyl)-
CAS No: 84347-18-2 Catalog No: AG00560L MDL No:
Product Description
Catalog Number:
AG00560L
Chemical Name:
4-Quinazolinamine, 2-chloro-N-(4-chlorobutyl)-N-(2-methylpropyl)-
CAS Number:
84347-18-2
Molecular Formula:
C16H21Cl2N3
Molecular Weight:
326.2640
IUPAC Name:
2-chloro-N-(4-chlorobutyl)-N-(2-methylpropyl)quinazolin-4-amine
InChI:
InChI=1S/C16H21Cl2N3/c1-12(2)11-21(10-6-5-9-17)15-13-7-3-4-8-14(13)19-16(18)20-15/h3-4,7-8,12H,5-6,9-11H2,1-2H3
InChI Key:
NMMKYYPHUNXXLS-UHFFFAOYSA-N
SMILES:
ClCCCCN(c1nc(Cl)nc2c1cccc2)CC(C)C
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.111g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.265g/mol
Monoisotopic Mass:
325.111g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
29A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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