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14528-88-2 | 1H-Imidazol-5-amine, 1-(phenylmethyl)-4-(2H-tetrazol-5-yl)-
CAS No: 14528-88-2 Catalog No: AG001KRB MDL No:
Product Description
Catalog Number:
AG001KRB
Chemical Name:
1H-Imidazol-5-amine, 1-(phenylmethyl)-4-(2H-tetrazol-5-yl)-
CAS Number:
14528-88-2
Molecular Formula:
C11H11N7
Molecular Weight:
241.2519
IUPAC Name:
3-benzyl-5-(2H-tetrazol-5-yl)imidazol-4-amine
InChI:
InChI=1S/C11H11N7/c12-10-9(11-14-16-17-15-11)13-7-18(10)6-8-4-2-1-3-5-8/h1-5,7H,6,12H2,(H,14,15,16,17)
InChI Key:
CXSXILBTKXFXIV-UHFFFAOYSA-N
SMILES:
Nc1n(cnc1c1n[nH]nn1)Cc1ccccc1
NSC Number:
88701
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.108g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.258g/mol
Monoisotopic Mass:
241.108g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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