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106017-20-3

106017-20-3 | 2-Propenamide, N-[3-(1H-imidazol-1-yl)-1,1-dimethylpropyl]-

CAS No: 106017-20-3 Catalog No: AG007W1H MDL No:

Product Description

Catalog Number:
AG007W1H
Chemical Name:
2-Propenamide, N-[3-(1H-imidazol-1-yl)-1,1-dimethylpropyl]-
CAS Number:
106017-20-3
Molecular Formula:
C11H17N3O
Molecular Weight:
207.2722
IUPAC Name:
N-(4-imidazol-1-yl-2-methylbutan-2-yl)prop-2-enamide
InChI:
InChI=1S/C11H17N3O/c1-4-10(15)13-11(2,3)5-7-14-8-6-12-9-14/h4,6,8-9H,1,5,7H2,2-3H3,(H,13,15)
InChI Key:
HTPXBHTTYCVEAW-UHFFFAOYSA-N
SMILES:
C=CC(=O)NC(CCn1cncc1)(C)C

Properties

Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.137g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.277g/mol
Monoisotopic Mass:
207.137g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

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