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23245-22-9 | Benzoic acid, 4-amino-, compd. with 1-phenylpiperazine (1:1)
CAS No: 23245-22-9 Catalog No: AG002MNJ MDL No:
Product Description
Catalog Number:
AG002MNJ
Chemical Name:
Benzoic acid, 4-amino-, compd. with 1-phenylpiperazine (1:1)
CAS Number:
23245-22-9
Molecular Formula:
C17H21N3O2
Molecular Weight:
299.3675
IUPAC Name:
4-aminobenzoic acid;1-phenylpiperazine
InChI:
InChI=1S/C10H14N2.C7H7NO2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12;8-6-3-1-5(2-4-6)7(9)10/h1-5,11H,6-9H2;1-4H,8H2,(H,9,10)
InChI Key:
JSKWEGYHJVYSCG-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)c1ccccc1.Nc1ccc(cc1)C(=O)O
NSC Number:
86811
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.163g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
299.374g/mol
Monoisotopic Mass:
299.163g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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