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164148-92-9 | 2(1H)-Isoquinolinecarboxylic acid, 6-amino-3,4-dihydro-, 1,1-dimethylethyl ester
CAS No: 164148-92-9 Catalog No: AG001UO5 MDL No:MFCD03426351
Product Description
Catalog Number:
AG001UO5
Chemical Name:
2(1H)-Isoquinolinecarboxylic acid, 6-amino-3,4-dihydro-, 1,1-dimethylethyl ester
CAS Number:
164148-92-9
Molecular Formula:
C14H20N2O2
Molecular Weight:
248.3208
MDL Number:
MFCD03426351
IUPAC Name:
tert-butyl 6-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate
InChI:
InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-7-6-10-8-12(15)5-4-11(10)9-16/h4-5,8H,6-7,9,15H2,1-3H3
InChI Key:
OLOIFCYZWOTWRO-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)CCN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.326g/mol
Monoisotopic Mass:
248.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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