Name: Name:2(1H)-Isoquinolinecarboxylic acid, 8-amino-5-bromo-3,4-dihydro-, 1,1-dimethylethyl ester
Brand: Angene
SKU: AG000R65
Rating: 90 (10 reviews)

2(1H)-Isoquinolinecarboxylic acid, 8-amino-5-bromo-3,4-dihydro-, 1,1-dimethylethyl ester

CAS No.:

1260763-55-0

Catalog Number:

AG000R65

Molecular Formula:

C14H19BrN2O2

Molecular Weight:

327.2169

Catalog Number:

AG000R65

Chemical Name:

2(1H)-Isoquinolinecarboxylic acid, 8-amino-5-bromo-3,4-dihydro-, 1,1-dimethylethyl ester

CAS Number:

1260763-55-0

Molecular Formula:

C14H19BrN2O2

Molecular Weight:

327.2169

MDL Number:

MFCD13195444

IUPAC Name:

tert-butyl 8-amino-5-bromo-3,4-dihydro-1H-isoquinoline-2-carboxylate

InChI:

InChI=1S/C14H19BrN2O2/c1-14(2,3)19-13(18)17-7-6-9-10(8-17)12(16)5-4-11(9)15/h4-5H,6-8,16H2,1-3H3

InChI Key:

DPCDGWCFUVLWBY-UHFFFAOYSA-N

SMILES:

O=C(N1CCc2c(C1)c(N)ccc2Br)OC(C)(C)C

Complexity:

343

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

326.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

327.222g/mol

Monoisotopic Mass:

326.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7