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2174000-05-4 | 5-(aminomethyl)-5-(1-methyl-1H-imidazol-2-yl)imidazolidine-2,4-dione dihydrochloride
CAS No: 2174000-05-4 Catalog No: AG01FJQ7 MDL No:
Product Description
Catalog Number:
AG01FJQ7
Chemical Name:
5-(aminomethyl)-5-(1-methyl-1H-imidazol-2-yl)imidazolidine-2,4-dione dihydrochloride
CAS Number:
2174000-05-4
Molecular Formula:
C8H13Cl2N5O2
Molecular Weight:
282.1271
IUPAC Name:
5-(aminomethyl)-5-(1-methylimidazol-2-yl)imidazolidine-2,4-dione;dihydrochloride
InChI:
InChI=1S/C8H11N5O2.2ClH/c1-13-3-2-10-5(13)8(4-9)6(14)11-7(15)12-8;;/h2-3H,4,9H2,1H3,(H2,11,12,14,15);2*1H
InChI Key:
PNDIUUJVQKREEX-UHFFFAOYSA-N
SMILES:
NCC1(NC(=O)NC1=O)c1nccn1C.Cl.Cl
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.045g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
282.125g/mol
Monoisotopic Mass:
281.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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