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838836-51-4

838836-51-4 | Benzamide, N-[[bis(2-hydroxyethyl)amino]methyl]-5-chloro-2-methoxy-

CAS No: 838836-51-4 Catalog No: AG00544P MDL No:

Product Description

Catalog Number:
AG00544P
Chemical Name:
Benzamide, N-[[bis(2-hydroxyethyl)amino]methyl]-5-chloro-2-methoxy-
CAS Number:
838836-51-4
Molecular Formula:
C13H19ClN2O4
Molecular Weight:
302.7540
IUPAC Name:
N-[[bis(2-hydroxyethyl)amino]methyl]-5-chloro-2-methoxybenzamide
InChI:
InChI=1S/C13H19ClN2O4/c1-20-12-3-2-10(14)8-11(12)13(19)15-9-16(4-6-17)5-7-18/h2-3,8,17-18H,4-7,9H2,1H3,(H,15,19)
InChI Key:
KXRDYJSXQXNSSB-UHFFFAOYSA-N
SMILES:
OCCN(CNC(=O)c1cc(Cl)ccc1OC)CCO

Properties

Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.103g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
302.755g/mol
Monoisotopic Mass:
302.103g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

Literature

Title Journal
Synthesis and in vitro study of novel Mannich bases as antibacterial agents. Bioorganic & medicinal chemistry letters 20050103

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