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116546-31-7 | Propanenitrile, 3,3'-[(1-methyl-1,2-ethanediyl)diimino]bis- (9CI)
CAS No: 116546-31-7 Catalog No: AG000CRV MDL No:
Product Description
Catalog Number:
AG000CRV
Chemical Name:
Propanenitrile, 3,3'-[(1-methyl-1,2-ethanediyl)diimino]bis- (9CI)
CAS Number:
116546-31-7
Molecular Formula:
C9H16N4
Molecular Weight:
180.2501
IUPAC Name:
3-[2-(2-cyanoethylamino)propylamino]propanenitrile
InChI:
InChI=1S/C9H16N4/c1-9(13-7-3-5-11)8-12-6-2-4-10/h9,12-13H,2-3,6-8H2,1H3
InChI Key:
RLCQHPZAPCADIJ-UHFFFAOYSA-N
SMILES:
N#CCCNCC(NCCC#N)C
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.137g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.255g/mol
Monoisotopic Mass:
180.137g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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