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114778-21-1 | 1H-Imidazole-4-carboxamide, 5-amino-1-[3-(phenylmethoxy)propoxy]-
CAS No: 114778-21-1 Catalog No: AG000F6O MDL No:
Product Description
Catalog Number:
AG000F6O
Chemical Name:
1H-Imidazole-4-carboxamide, 5-amino-1-[3-(phenylmethoxy)propoxy]-
CAS Number:
114778-21-1
Molecular Formula:
C14H18N4O3
Molecular Weight:
290.3177
IUPAC Name:
5-amino-1-(3-phenylmethoxypropoxy)imidazole-4-carboxamide
InChI:
InChI=1S/C14H18N4O3/c15-13-12(14(16)19)17-10-18(13)21-8-4-7-20-9-11-5-2-1-3-6-11/h1-3,5-6,10H,4,7-9,15H2,(H2,16,19)
InChI Key:
HSJKUGYIZMMHJC-UHFFFAOYSA-N
SMILES:
NC(=O)c1ncn(c1N)OCCCOCc1ccccc1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.138g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
290.323g/mol
Monoisotopic Mass:
290.138g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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