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25063-23-4 | Benzoic acid, 4-(dimethylamino)-, 2-methylbutyl ester
CAS No: 25063-23-4 Catalog No: AG002QCF MDL No:
Product Description
Catalog Number:
AG002QCF
Chemical Name:
Benzoic acid, 4-(dimethylamino)-, 2-methylbutyl ester
CAS Number:
25063-23-4
Molecular Formula:
C14H21NO2
Molecular Weight:
235.3220
IUPAC Name:
2-methylbutyl 4-(dimethylamino)benzoate
InChI:
InChI=1S/C14H21NO2/c1-5-11(2)10-17-14(16)12-6-8-13(9-7-12)15(3)4/h6-9,11H,5,10H2,1-4H3
InChI Key:
DDFJYMPPPJNZME-UHFFFAOYSA-N
SMILES:
CCC(COC(=O)c1ccc(cc1)N(C)C)C
EC Number:
246-594-7
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.157g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.327g/mol
Monoisotopic Mass:
235.157g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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