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1789-37-3 | Propanenitrile, 3,3'-(butylimino)bis-
CAS No: 1789-37-3 Catalog No: AG0026HL MDL No:
Product Description
Catalog Number:
AG0026HL
Chemical Name:
Propanenitrile, 3,3'-(butylimino)bis-
CAS Number:
1789-37-3
Molecular Formula:
C10H17N3
Molecular Weight:
179.2621
IUPAC Name:
3-[butyl(2-cyanoethyl)amino]propanenitrile
InChI:
InChI=1S/C10H17N3/c1-2-3-8-13(9-4-6-11)10-5-7-12/h2-5,8-10H2,1H3
InChI Key:
OCHYAVQMXYIMPX-UHFFFAOYSA-N
SMILES:
CCCCN(CCC#N)CCC#N
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.142g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.267g/mol
Monoisotopic Mass:
179.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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