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Home > Aldehydes > 959238-95-0
959238-95-0 | 2-(PROPYLAMINO)PYRIMIDINE-5-CARBALDEHYDE
CAS No: 959238-95-0 Catalog No: AG005WHA MDL No:MFCD09864451
Product Description
Catalog Number:
AG005WHA
Chemical Name:
2-(PROPYLAMINO)PYRIMIDINE-5-CARBALDEHYDE
CAS Number:
959238-95-0
Molecular Formula:
C8H11N3O
Molecular Weight:
165.1924
MDL Number:
MFCD09864451
IUPAC Name:
2-(propylamino)pyrimidine-5-carbaldehyde
InChI:
InChI=1S/C8H11N3O/c1-2-3-9-8-10-4-7(6-12)5-11-8/h4-6H,2-3H2,1H3,(H,9,10,11)
InChI Key:
CDTAUWPTFJUTKJ-UHFFFAOYSA-N
SMILES:
CCCNc1ncc(cn1)C=O
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.196g/mol
Monoisotopic Mass:
165.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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