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1253-67-4 | Benzamide, N-[2-(hydroxymethyl)-2-phenylbutyl]-3,4,5-trimethoxy-N-propyl-
CAS No: 1253-67-4 Catalog No: AG000NH4 MDL No:
Product Description
Catalog Number:
AG000NH4
Chemical Name:
Benzamide, N-[2-(hydroxymethyl)-2-phenylbutyl]-3,4,5-trimethoxy-N-propyl-
CAS Number:
1253-67-4
Molecular Formula:
C24H33NO5
Molecular Weight:
415.5225
IUPAC Name:
4-bromobutanenitrile
InChI:
InChI=1S/C4H6BrN/c5-3-1-2-4-6/h1-3H2
InChI Key:
CQPGDDAKTTWVDD-UHFFFAOYSA-N
SMILES:
CCCN(C(=O)c1cc(OC)c(c(c1)OC)OC)CC(c1ccccc1)(CO)CC
EC Number:
226-236-6
NSC Number:
3972
Properties
Complexity:
61.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.968g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.003g/mol
Monoisotopic Mass:
146.968g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Substrate specificity of haloalkane dehalogenases. | The Biochemical journal 20110415 |
| Redesigning dehalogenase access tunnels as a strategy for degrading an anthropogenic substrate. | Nature chemical biology 20091001 |
| First synthesis and structure of beta-ketoimine calix[4]arenes: complexation and extraction studies. | The Journal of organic chemistry 20041001 |
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