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88723-17-5 | Ethanone, 1-[2-(heptylamino)-1H-imidazol-4-yl]-
CAS No: 88723-17-5 Catalog No: AG0046LB MDL No:
Product Description
Catalog Number:
AG0046LB
Chemical Name:
Ethanone, 1-[2-(heptylamino)-1H-imidazol-4-yl]-
CAS Number:
88723-17-5
Molecular Formula:
C12H21N3O
Molecular Weight:
223.3146
IUPAC Name:
1-[2-(heptylamino)-1H-imidazol-5-yl]ethanone
InChI:
InChI=1S/C12H21N3O/c1-3-4-5-6-7-8-13-12-14-9-11(15-12)10(2)16/h9H,3-8H2,1-2H3,(H2,13,14,15)
InChI Key:
HZTUJLLJIIHPOI-UHFFFAOYSA-N
SMILES:
CCCCCCCNc1[nH]cc(n1)C(=O)C
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.168g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.32g/mol
Monoisotopic Mass:
223.168g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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