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88723-14-2 | Ethanone, 1-[2-(butylamino)-1H-imidazol-4-yl]-
CAS No: 88723-14-2 Catalog No: AG0046LC MDL No:
Product Description
Catalog Number:
AG0046LC
Chemical Name:
Ethanone, 1-[2-(butylamino)-1H-imidazol-4-yl]-
CAS Number:
88723-14-2
Molecular Formula:
C9H15N3O
Molecular Weight:
181.2349
IUPAC Name:
1-[2-(butylamino)-1H-imidazol-5-yl]ethanone
InChI:
InChI=1S/C9H15N3O/c1-3-4-5-10-9-11-6-8(12-9)7(2)13/h6H,3-5H2,1-2H3,(H2,10,11,12)
InChI Key:
SSVARMWBTXVYKF-UHFFFAOYSA-N
SMILES:
CCCCNc1[nH]cc(n1)C(=O)C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.122g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.239g/mol
Monoisotopic Mass:
181.122g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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