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1004-21-3 | 2H-Imidazol-2-one, 4-(2-aminoethyl)-1,3-dihydro-
CAS No: 1004-21-3 Catalog No: AG0001WB MDL No:
Product Description
Catalog Number:
AG0001WB
Chemical Name:
2H-Imidazol-2-one, 4-(2-aminoethyl)-1,3-dihydro-
CAS Number:
1004-21-3
Molecular Formula:
C5H9N3O
Molecular Weight:
127.1445
IUPAC Name:
4-(2-aminoethyl)-1,3-dihydroimidazol-2-one
InChI:
InChI=1S/C5H9N3O/c6-2-1-4-3-7-5(9)8-4/h3H,1-2,6H2,(H2,7,8,9)
InChI Key:
IPBJEUVWFPXMCE-UHFFFAOYSA-N
SMILES:
NCCc1c[nH]c(=O)[nH]1
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.075g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
127.147g/mol
Monoisotopic Mass:
127.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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