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30533-77-8 | Benzamide, 5-amino-N-propyl-2-(2-propyn-1-yloxy)-
CAS No: 30533-77-8 Catalog No: AG0030GJ MDL No:
Product Description
Catalog Number:
AG0030GJ
Chemical Name:
Benzamide, 5-amino-N-propyl-2-(2-propyn-1-yloxy)-
CAS Number:
30533-77-8
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
IUPAC Name:
5-amino-N-propyl-2-prop-2-ynoxybenzamide
InChI:
InChI=1S/C13H16N2O2/c1-3-7-15-13(16)11-9-10(14)5-6-12(11)17-8-4-2/h2,5-6,9H,3,7-8,14H2,1H3,(H,15,16)
InChI Key:
AAUTTWDSALBGBR-UHFFFAOYSA-N
SMILES:
CCCNC(=O)c1cc(N)ccc1OCC#C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.283g/mol
Monoisotopic Mass:
232.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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