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84650-69-1 | Propanenitrile,3-[(2-ethylhexyl)amino]-
CAS No: 84650-69-1 Catalog No: AG0050FH MDL No:
Product Description
Catalog Number:
AG0050FH
Chemical Name:
Propanenitrile,3-[(2-ethylhexyl)amino]-
CAS Number:
84650-69-1
Molecular Formula:
C11H22N2
Molecular Weight:
182.3058
IUPAC Name:
3-(2-ethylhexylamino)propanenitrile
InChI:
InChI=1S/C11H22N2/c1-3-5-7-11(4-2)10-13-9-6-8-12/h11,13H,3-7,9-10H2,1-2H3
InChI Key:
CNMWHDXYWDRZLD-UHFFFAOYSA-N
SMILES:
CCCCC(CNCCC#N)CC
EC Number:
283-528-6
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.178g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.311g/mol
Monoisotopic Mass:
182.178g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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