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29070-06-2 | 2,4-Imidazolidinedione, 5-(4-aminobutyl)-
CAS No: 29070-06-2 Catalog No: AG002X88 MDL No:
Product Description
Catalog Number:
AG002X88
Chemical Name:
2,4-Imidazolidinedione, 5-(4-aminobutyl)-
CAS Number:
29070-06-2
Molecular Formula:
C7H13N3O2
Molecular Weight:
171.1970
IUPAC Name:
5-(4-aminobutyl)imidazolidine-2,4-dione
InChI:
InChI=1S/C7H13N3O2/c8-4-2-1-3-5-6(11)10-7(12)9-5/h5H,1-4,8H2,(H2,9,10,11,12)
InChI Key:
VQEWBNPYMIPJQY-UHFFFAOYSA-N
SMILES:
NCCCCC1NC(=O)NC1=O
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.101g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
171.2g/mol
Monoisotopic Mass:
171.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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