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1384431-05-3

1384431-05-3 | 3,3,7,7-tetraethyl-2-imino-2H,3H,5H,6H,7H-imidazo[1,2-c]imidazolidin-5-one

CAS No: 1384431-05-3 Catalog No: AG019Z9Q MDL No:MFCD22196660

Product Description

Catalog Number:
AG019Z9Q
Chemical Name:
3,3,7,7-tetraethyl-2-imino-2H,3H,5H,6H,7H-imidazo[1,2-c]imidazolidin-5-one
CAS Number:
1384431-05-3
Molecular Formula:
C13H22N4O
Molecular Weight:
250.3400
MDL Number:
MFCD22196660
IUPAC Name:
3,3,7,7-tetraethyl-2-imino-6H-imidazo[1,5-a]imidazol-5-one
InChI:
InChI=1S/C13H22N4O/c1-5-12(6-2)10-15-9(14)13(7-3,8-4)17(10)11(18)16-12/h14H,5-8H2,1-4H3,(H,16,18)
InChI Key:
GDCVIFYBIOMXBA-UHFFFAOYSA-N
SMILES:
CCC1(CC)NC(=O)N2C1=NC(=N)C2(CC)CC

Properties

Complexity:
419  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.179g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
250.346g/mol
Monoisotopic Mass:
250.179g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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