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159660-85-2 | 3-Pyridinecarboxylic acid, 4-amino-1,2,5,6-tetrahydro-1-(phenylmethyl)-, methyl ester
CAS No: 159660-85-2 Catalog No: AG001RAP MDL No:
Product Description
Catalog Number:
AG001RAP
Chemical Name:
3-Pyridinecarboxylic acid, 4-amino-1,2,5,6-tetrahydro-1-(phenylmethyl)-, methyl ester
CAS Number:
159660-85-2
Molecular Formula:
C14H18N2O2
Molecular Weight:
246.3049
IUPAC Name:
methyl 4-amino-1-benzyl-3,6-dihydro-2H-pyridine-5-carboxylate
InChI:
InChI=1S/C14H18N2O2/c1-18-14(17)12-10-16(8-7-13(12)15)9-11-5-3-2-4-6-11/h2-6H,7-10,15H2,1H3
InChI Key:
HLKWMBMESNOAMS-UHFFFAOYSA-N
SMILES:
COC(=O)C1=C(N)CCN(C1)Cc1ccccc1
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.137g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.31g/mol
Monoisotopic Mass:
246.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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