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125903-44-8 | Benzamide, N-(2-aminoethyl)-4-(1H-imidazol-1-yl)-
CAS No: 125903-44-8 Catalog No: AG000OXS MDL No:
Product Description
Catalog Number:
AG000OXS
Chemical Name:
Benzamide, N-(2-aminoethyl)-4-(1H-imidazol-1-yl)-
CAS Number:
125903-44-8
Molecular Formula:
C12H14N4O
Molecular Weight:
230.2658
IUPAC Name:
N-(2-aminoethyl)-4-imidazol-1-ylbenzamide
InChI:
InChI=1S/C12H14N4O/c13-5-6-15-12(17)10-1-3-11(4-2-10)16-8-7-14-9-16/h1-4,7-9H,5-6,13H2,(H,15,17)
InChI Key:
RVRQKBILOQZRIG-UHFFFAOYSA-N
SMILES:
NCCNC(=O)c1ccc(cc1)n1cncc1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.117g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.271g/mol
Monoisotopic Mass:
230.117g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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