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1159822-30-6 | 2(1H)-Isoquinolinecarboxylic acid, 6-amino-3,4-dihydro-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS No: 1159822-30-6 Catalog No: AG000HBB MDL No:
Product Description
Catalog Number:
AG000HBB
Chemical Name:
2(1H)-Isoquinolinecarboxylic acid, 6-amino-3,4-dihydro-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS Number:
1159822-30-6
Molecular Formula:
C14H21ClN2O2
Molecular Weight:
284.7817
IUPAC Name:
tert-butyl 6-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate;hydrochloride
InChI:
InChI=1S/C14H20N2O2.ClH/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;1H
InChI Key:
KMZVJJZOOPXADV-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)CCN(C2)C(=O)OC(C)(C)C.Cl
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.129g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.784g/mol
Monoisotopic Mass:
284.129g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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