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1134594-76-5 | 2-Quinolinecarboxylic acid, 8-amino-1,2,3,4-tetrahydro-, ethyl ester
CAS No: 1134594-76-5 Catalog No: AG0008NX MDL No:
Product Description
Catalog Number:
AG0008NX
Chemical Name:
2-Quinolinecarboxylic acid, 8-amino-1,2,3,4-tetrahydro-, ethyl ester
CAS Number:
1134594-76-5
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
IUPAC Name:
ethyl 8-amino-1,2,3,4-tetrahydroquinoline-2-carboxylate
InChI:
InChI=1S/C12H16N2O2/c1-2-16-12(15)10-7-6-8-4-3-5-9(13)11(8)14-10/h3-5,10,14H,2,6-7,13H2,1H3
InChI Key:
CKXXTRFCFIRBHO-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCc2c(N1)c(N)ccc2
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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