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126947-45-3 | Propanediamide, N1,N3-bis(3-methylbutyl)-
CAS No: 126947-45-3 Catalog No: AG000WGG MDL No:MFCD03147305
Product Description
Catalog Number:
AG000WGG
Chemical Name:
Propanediamide, N1,N3-bis(3-methylbutyl)-
CAS Number:
126947-45-3
Molecular Formula:
C13H26N2O2
Molecular Weight:
242.3577
MDL Number:
MFCD03147305
IUPAC Name:
N,N'-bis(3-methylbutyl)propanediamide
InChI:
InChI=1S/C13H26N2O2/c1-10(2)5-7-14-12(16)9-13(17)15-8-6-11(3)4/h10-11H,5-9H2,1-4H3,(H,14,16)(H,15,17)
InChI Key:
UCTJMAHVRZXADJ-UHFFFAOYSA-N
SMILES:
CC(CCNC(=O)CC(=O)NCCC(C)C)C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.199g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.363g/mol
Monoisotopic Mass:
242.199g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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