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78243-68-2 | 5-AMINO-2-(4-METHYL-1-PIPERIDINYL)BENZOIC ACID
CAS No: 78243-68-2 Catalog No: AG005CH0 MDL No:MFCD05259349
Product Description
Catalog Number:
AG005CH0
Chemical Name:
5-AMINO-2-(4-METHYL-1-PIPERIDINYL)BENZOIC ACID
CAS Number:
78243-68-2
Molecular Formula:
C13H18N2O2
Molecular Weight:
234.2942
MDL Number:
MFCD05259349
IUPAC Name:
5-amino-2-(4-methylpiperidin-1-yl)benzoic acid
InChI:
InChI=1S/C13H18N2O2/c1-9-4-6-15(7-5-9)12-3-2-10(14)8-11(12)13(16)17/h2-3,8-9H,4-7,14H2,1H3,(H,16,17)
InChI Key:
WLIBXILRXKJRAY-UHFFFAOYSA-N
SMILES:
CC1CCN(CC1)c1ccc(cc1C(=O)O)N
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.137g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.299g/mol
Monoisotopic Mass:
234.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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