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119628-08-9 | Benzoic acid, 4-[(4-aminobutyl)amino]-, 1,1-dimethylethyl ester
CAS No: 119628-08-9 Catalog No: AG000PDL MDL No:
Product Description
Catalog Number:
AG000PDL
Chemical Name:
Benzoic acid, 4-[(4-aminobutyl)amino]-, 1,1-dimethylethyl ester
CAS Number:
119628-08-9
Molecular Formula:
C15H24N2O2
Molecular Weight:
264.3633
IUPAC Name:
tert-butyl 4-(4-aminobutylamino)benzoate
InChI:
InChI=1S/C15H24N2O2/c1-15(2,3)19-14(18)12-6-8-13(9-7-12)17-11-5-4-10-16/h6-9,17H,4-5,10-11,16H2,1-3H3
InChI Key:
XPPOHVHUPBDGEO-UHFFFAOYSA-N
SMILES:
NCCCCNc1ccc(cc1)C(=O)OC(C)(C)C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.184g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.369g/mol
Monoisotopic Mass:
264.184g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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