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113641-62-6 | 2H-Pyrido[1,2-a]pyrimidine-6-carbonitrile, octahydro-
CAS No: 113641-62-6 Catalog No: AG00097J MDL No:
Product Description
Catalog Number:
AG00097J
Chemical Name:
2H-Pyrido[1,2-a]pyrimidine-6-carbonitrile, octahydro-
CAS Number:
113641-62-6
Molecular Formula:
C9H15N3
Molecular Weight:
165.2355
IUPAC Name:
2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrimidine-6-carbonitrile
InChI:
InChI=1S/C9H15N3/c10-7-8-3-1-4-9-11-5-2-6-12(8)9/h8-9,11H,1-6H2
InChI Key:
LWYYALQBLFWWRD-UHFFFAOYSA-N
SMILES:
N#CC1CCCC2N1CCCN2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.127g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.24g/mol
Monoisotopic Mass:
165.127g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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