200,000+ products from a single source!
sales@angenechem.com
88723-13-1 | Ethanone, 1-[2-(propylamino)-1H-imidazol-4-yl]-
CAS No: 88723-13-1 Catalog No: AG0046LD MDL No:
Product Description
Catalog Number:
AG0046LD
Chemical Name:
Ethanone, 1-[2-(propylamino)-1H-imidazol-4-yl]-
CAS Number:
88723-13-1
Molecular Formula:
C8H13N3O
Molecular Weight:
167.2083
IUPAC Name:
1-[2-(propylamino)-1H-imidazol-5-yl]ethanone
InChI:
InChI=1S/C8H13N3O/c1-3-4-9-8-10-5-7(11-8)6(2)12/h5H,3-4H2,1-2H3,(H2,9,10,11)
InChI Key:
RXCRLKPZCMWZOX-UHFFFAOYSA-N
SMILES:
CCCNc1[nH]cc(n1)C(=O)C
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.106g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.212g/mol
Monoisotopic Mass:
167.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.