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56621-93-3 | 2-Pyrimidinecarbonitrile, 5-amino- (9CI)
CAS No: 56621-93-3 Catalog No: AG0032AD MDL No:MFCD08234877
Product Description
Catalog Number:
AG0032AD
Chemical Name:
2-Pyrimidinecarbonitrile, 5-amino- (9CI)
CAS Number:
56621-93-3
Molecular Formula:
C5H4N4
Molecular Weight:
120.1121
MDL Number:
MFCD08234877
IUPAC Name:
5-aminopyrimidine-2-carbonitrile
InChI:
InChI=1S/C5H4N4/c6-1-5-8-2-4(7)3-9-5/h2-3H,7H2
InChI Key:
NOMODHWDBMCWFQ-UHFFFAOYSA-N
SMILES:
N#Cc1ncc(cn1)N
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.044g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
120.115g/mol
Monoisotopic Mass:
120.044g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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