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2004-62-8 | Propanenitrile, 3,3'-(1,6-hexanediyldiimino)bis-
CAS No: 2004-62-8 Catalog No: AG002CQU MDL No:MFCD06654907
Product Description
Catalog Number:
AG002CQU
Chemical Name:
Propanenitrile, 3,3'-(1,6-hexanediyldiimino)bis-
CAS Number:
2004-62-8
Molecular Formula:
C12H22N4
Molecular Weight:
222.3299
MDL Number:
MFCD06654907
IUPAC Name:
3-[6-(2-cyanoethylamino)hexylamino]propanenitrile
InChI:
InChI=1S/C12H22N4/c13-7-5-11-15-9-3-1-2-4-10-16-12-6-8-14/h15-16H,1-6,9-12H2
InChI Key:
ABYBSKYSXDSVJG-UHFFFAOYSA-N
SMILES:
N#CCCNCCCCCCNCCC#N
EC Number:
700-129-9
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.184g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.336g/mol
Monoisotopic Mass:
222.184g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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