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40160-23-4

40160-23-4 | 3-(1H-imidazol-4-yl)propanamide

CAS No: 40160-23-4 Catalog No: AG01AD3M MDL No:MFCD19211222

Product Description

Catalog Number:
AG01AD3M
Chemical Name:
3-(1H-imidazol-4-yl)propanamide
CAS Number:
40160-23-4
Molecular Formula:
C6H9N3O
Molecular Weight:
139.1552
MDL Number:
MFCD19211222
IUPAC Name:
3-(1H-imidazol-5-yl)propanamide
InChI:
InChI=1S/C6H9N3O/c7-6(10)2-1-5-3-8-4-9-5/h3-4H,1-2H2,(H2,7,10)(H,8,9)
InChI Key:
WELHCKCHZYENBT-UHFFFAOYSA-N
SMILES:
NC(=O)CCc1c[nH]cn1

Properties

Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.075g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
139.158g/mol
Monoisotopic Mass:
139.075g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  

Literature

Title Journal
Polybioside, a neuroactive compound from the venom of the social wasp Polybia paulista. Journal of natural products 20100423

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