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84604-80-8 | Benzoic acid,4-(dimethylamino)-, 4-methylpentyl ester
CAS No: 84604-80-8 Catalog No: AG004QA0 MDL No:
Product Description
Catalog Number:
AG004QA0
Chemical Name:
Benzoic acid,4-(dimethylamino)-, 4-methylpentyl ester
CAS Number:
84604-80-8
Molecular Formula:
C15H23NO2
Molecular Weight:
249.3486
IUPAC Name:
4-methylpentyl 4-(dimethylamino)benzoate
InChI:
InChI=1S/C15H23NO2/c1-12(2)6-5-11-18-15(17)13-7-9-14(10-8-13)16(3)4/h7-10,12H,5-6,11H2,1-4H3
InChI Key:
UXQNDGIUVXGSEK-UHFFFAOYSA-N
SMILES:
CC(CCCOC(=O)c1ccc(cc1)N(C)C)C
EC Number:
283-364-5
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.173g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.354g/mol
Monoisotopic Mass:
249.173g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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