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Home > Aldehydes > 946778-44-5
946778-44-5 | 2-(BENZYLAMINO)PYRIMIDINE-5-CARBALDEHYDE
CAS No: 946778-44-5 Catalog No: AG006T7G MDL No:MFCD09864454
Product Description
Catalog Number:
AG006T7G
Chemical Name:
2-(BENZYLAMINO)PYRIMIDINE-5-CARBALDEHYDE
CAS Number:
946778-44-5
Molecular Formula:
C12H11N3O
Molecular Weight:
213.2352
MDL Number:
MFCD09864454
IUPAC Name:
2-(benzylamino)pyrimidine-5-carbaldehyde
InChI:
InChI=1S/C12H11N3O/c16-9-11-7-14-12(15-8-11)13-6-10-4-2-1-3-5-10/h1-5,7-9H,6H2,(H,13,14,15)
InChI Key:
LYCVAJMGIHAWPH-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(nc1)NCc1ccccc1
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.24g/mol
Monoisotopic Mass:
213.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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