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26423-00-7 | 4-Pyrimidinamine, N-butyl-6-chloro-
CAS No: 26423-00-7 Catalog No: AG002T5P MDL No:MFCD09800955
Product Description
Catalog Number:
AG002T5P
Chemical Name:
4-Pyrimidinamine, N-butyl-6-chloro-
CAS Number:
26423-00-7
Molecular Formula:
C8H12ClN3
Molecular Weight:
185.6540
MDL Number:
MFCD09800955
IUPAC Name:
N-butyl-6-chloropyrimidin-4-amine
InChI:
InChI=1S/C8H12ClN3/c1-2-3-4-10-8-5-7(9)11-6-12-8/h5-6H,2-4H2,1H3,(H,10,11,12)
InChI Key:
LHMGITJOGBLZHD-UHFFFAOYSA-N
SMILES:
CCCCNc1cc(Cl)ncn1
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.072g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.655g/mol
Monoisotopic Mass:
185.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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