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87829-68-3 | Benzamide, N-(4-amino-3-hydroxybutyl)-
CAS No: 87829-68-3 Catalog No: AG004H7Q MDL No:
Product Description
Catalog Number:
AG004H7Q
Chemical Name:
Benzamide, N-(4-amino-3-hydroxybutyl)-
CAS Number:
87829-68-3
Molecular Formula:
C11H16N2O2
Molecular Weight:
208.2569
IUPAC Name:
N-(4-amino-3-hydroxybutyl)benzamide
InChI:
InChI=1S/C11H16N2O2/c12-8-10(14)6-7-13-11(15)9-4-2-1-3-5-9/h1-5,10,14H,6-8,12H2,(H,13,15)
InChI Key:
YFRHOCHROAGPMT-UHFFFAOYSA-N
SMILES:
NCC(CCNC(=O)c1ccccc1)O
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.121g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
208.261g/mol
Monoisotopic Mass:
208.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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