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100311-20-4 | Benzoic acid, 2-butoxy-4-(butylamino)-, 3-(1-piperidinyl)propyl ester
CAS No: 100311-20-4 Catalog No: AG0001LW MDL No:
Product Description
Catalog Number:
AG0001LW
Chemical Name:
Benzoic acid, 2-butoxy-4-(butylamino)-, 3-(1-piperidinyl)propyl ester
CAS Number:
100311-20-4
Molecular Formula:
C23H38N2O3
Molecular Weight:
390.5594
IUPAC Name:
3-piperidin-1-ylpropyl 2-butoxy-4-(butylamino)benzoate
InChI:
InChI=1S/C23H38N2O3/c1-3-5-13-24-20-11-12-21(22(19-20)27-17-6-4-2)23(26)28-18-10-16-25-14-8-7-9-15-25/h11-12,19,24H,3-10,13-18H2,1-2H3
InChI Key:
CFFITRKPHLULBB-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(NCCCC)ccc1C(=O)OCCCN1CCCCC1
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.288g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
390.568g/mol
Monoisotopic Mass:
390.288g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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