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1087797-76-9 | N-[1-(adamantan-1-yl)ethyl]-1H-imidazole-1-carboxamide
CAS No: 1087797-76-9 Catalog No: AG019QQB MDL No:MFCD11099703
Product Description
Catalog Number:
AG019QQB
Chemical Name:
N-[1-(adamantan-1-yl)ethyl]-1H-imidazole-1-carboxamide
CAS Number:
1087797-76-9
Molecular Formula:
C16H23N3O
Molecular Weight:
273.3733
MDL Number:
MFCD11099703
IUPAC Name:
N-[1-(1-adamantyl)ethyl]imidazole-1-carboxamide
InChI:
InChI=1S/C16H23N3O/c1-11(18-15(20)19-3-2-17-10-19)16-7-12-4-13(8-16)6-14(5-12)9-16/h2-3,10-14H,4-9H2,1H3,(H,18,20)
InChI Key:
YOKBRRRRRKGVTR-UHFFFAOYSA-N
SMILES:
CC(C12CC3CC(C2)CC(C1)C3)NC(=O)n1cncc1
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.184g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.38g/mol
Monoisotopic Mass:
273.184g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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