Name: Name:2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-, 1,1-dimethylethyl ester
Brand: Angene
SKU: AG0018LS
Rating: 90 (10 reviews)

2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-, 1,1-dimethylethyl ester

CAS No.:

138350-92-2

Catalog Number:

AG0018LS

Molecular Formula:

C14H19NO2

Molecular Weight:

233.3062

Catalog Number:

AG0018LS

Chemical Name:

2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-, 1,1-dimethylethyl ester

CAS Number:

138350-92-2

Molecular Formula:

C14H19NO2

Molecular Weight:

233.3062

MDL Number:

MFCD11976259

IUPAC Name:

tert-butyl 3,4-dihydro-1H-isoquinoline-2-carboxylate

InChI:

InChI=1S/C14H19NO2/c1-14(2,3)17-13(16)15-9-8-11-6-4-5-7-12(11)10-15/h4-7H,8-10H2,1-3H3

InChI Key:

HTDOHIVUPFBSNR-UHFFFAOYSA-N

SMILES:

O=C(N1CCc2c(C1)cccc2)OC(C)(C)C

Complexity:

282

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

233.142g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

233.311g/mol

Monoisotopic Mass:

233.142g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6