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819883-48-2 | Benzoic acid, 3,5-bis[[(4-amino-1-oxobutyl)amino]methyl]-
CAS No: 819883-48-2 Catalog No: AG005EPY MDL No:
Product Description
Catalog Number:
AG005EPY
Chemical Name:
Benzoic acid, 3,5-bis[[(4-amino-1-oxobutyl)amino]methyl]-
CAS Number:
819883-48-2
Molecular Formula:
C17H26N4O4
Molecular Weight:
350.4127
IUPAC Name:
3,5-bis[(4-aminobutanoylamino)methyl]benzoic acid
InChI:
InChI=1S/C17H26N4O4/c18-5-1-3-15(22)20-10-12-7-13(9-14(8-12)17(24)25)11-21-16(23)4-2-6-19/h7-9H,1-6,10-11,18-19H2,(H,20,22)(H,21,23)(H,24,25)
InChI Key:
RRPZAYZGDLIQNG-UHFFFAOYSA-N
SMILES:
NCCCC(=O)NCc1cc(CNC(=O)CCCN)cc(c1)C(=O)O
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.195g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
350.419g/mol
Monoisotopic Mass:
350.195g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.9
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