Home Nitriles 5H,6H,7H,8H,9H-pyrido[2,3-d]azepine-2-carbonitrile dihydrochloride

5H,6H,7H,8H,9H-pyrido[2,3-d]azepine-2-carbonitrile dihydrochloride

CAS No.:
1003587-73-2
Catalog Number:
AG01BGHA
Molecular Formula:
C10H13Cl2N3
Molecular Weight:
246.1363
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Product Description
Catalog Number:
AG01BGHA
Chemical Name:
5H,6H,7H,8H,9H-pyrido[2,3-d]azepine-2-carbonitrile dihydrochloride
CAS Number:
1003587-73-2
Molecular Formula:
C10H13Cl2N3
Molecular Weight:
246.1363
MDL Number:
MFCD28125128
IUPAC Name:
6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine-2-carbonitrile;dihydrochloride
InChI:
InChI=1S/C10H11N3.2ClH/c11-7-9-2-1-8-3-5-12-6-4-10(8)13-9;;/h1-2,12H,3-6H2;2*1H
InChI Key:
HLEJHKFISMWPCL-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(n1)CCNCC2.Cl.Cl
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.049g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
246.135g/mol
Monoisotopic Mass:
245.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
48.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties