Home Aldehydes 2-(Benzylamino)pyrimidine-5-carbaldehyde

2-(Benzylamino)pyrimidine-5-carbaldehyde

CAS No.:
946778-44-5
Catalog Number:
AG006T7G
Molecular Formula:
C12H11N3O
Molecular Weight:
213.2352
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
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  
Properties