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22936-85-2 | 1,3,5-Triazine-2,4-diamine, 6-chloro-N2-cyclopropyl-N4-ethyl-
CAS No: 22936-85-2 Catalog No: AG002LL8 MDL No:
Product Description
Catalog Number:
AG002LL8
Chemical Name:
1,3,5-Triazine-2,4-diamine, 6-chloro-N2-cyclopropyl-N4-ethyl-
CAS Number:
22936-85-2
Molecular Formula:
C8H12ClN5
Molecular Weight:
213.6674
IUPAC Name:
6-chloro-2-N-cyclopropyl-4-N-ethyl-1,3,5-triazine-2,4-diamine
InChI:
InChI=1S/C8H12ClN5/c1-2-10-7-12-6(9)13-8(14-7)11-5-3-4-5/h5H,2-4H2,1H3,(H2,10,11,12,13,14)
InChI Key:
CPWICPWJYKWISR-UHFFFAOYSA-N
SMILES:
CCNc1nc(NC2CC2)nc(n1)Cl
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.078g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
213.669g/mol
Monoisotopic Mass:
213.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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