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1145753-88-3 | 2(1H)-Isoquinolinecarboxylic acid, 4-amino-3,4-dihydro-, 1,1-dimethylethyl ester
CAS No: 1145753-88-3 Catalog No: AG000EQ3 MDL No:MFCD01320493
Product Description
Catalog Number:
AG000EQ3
Chemical Name:
2(1H)-Isoquinolinecarboxylic acid, 4-amino-3,4-dihydro-, 1,1-dimethylethyl ester
CAS Number:
1145753-88-3
Molecular Formula:
C14H20N2O2
Molecular Weight:
248.3208
MDL Number:
MFCD01320493
IUPAC Name:
tert-butyl 4-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate
InChI:
InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-8-10-6-4-5-7-11(10)12(15)9-16/h4-7,12H,8-9,15H2,1-3H3
InChI Key:
UQVRIGBITJSZJX-UHFFFAOYSA-N
SMILES:
O=C(N1CC(N)c2c(C1)cccc2)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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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