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1007-11-0 | 2,4-Pyrimidinediamine, 6-chloro-N4,N4-dimethyl-
CAS No: 1007-11-0 Catalog No: AG0002NQ MDL No:MFCD13188630
Product Description
Catalog Number:
AG0002NQ
Chemical Name:
2,4-Pyrimidinediamine, 6-chloro-N4,N4-dimethyl-
CAS Number:
1007-11-0
Molecular Formula:
C6H9ClN4
Molecular Weight:
172.6155
MDL Number:
MFCD13188630
IUPAC Name:
6-chloro-4-N,4-N-dimethylpyrimidine-2,4-diamine
InChI:
InChI=1S/C6H9ClN4/c1-11(2)5-3-4(7)9-6(8)10-5/h3H,1-2H3,(H2,8,9,10)
InChI Key:
FSSOQNSFFZSKAX-UHFFFAOYSA-N
SMILES:
Clc1cc(nc(n1)N)N(C)C
NSC Number:
72462
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.052g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.616g/mol
Monoisotopic Mass:
172.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| 6-Chloro-N(4),N(4)-dimethyl-pyrimidine-2,4-diamine. | Acta crystallographica. Section E, Structure reports online 20120501 |
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