Name: Name:Naphthalen-1,4-iMine-9-carboxylic acid, 1,4-dihydro-, 1,1-diMethylethyl ester
Brand: Angene
SKU: AG00DB70
Rating: 90 (10 reviews)

Naphthalen-1,4-iMine-9-carboxylic acid, 1,4-dihydro-, 1,1-diMethylethyl ester

CAS No.:

5176-28-3

Catalog Number:

AG00DB70

Molecular Formula:

C15H17NO2

Molecular Weight:

243.3010

Catalog Number:

AG00DB70

Chemical Name:

Naphthalen-1,4-iMine-9-carboxylic acid, 1,4-dihydro-, 1,1-diMethylethyl ester

CAS Number:

5176-28-3

Molecular Formula:

C15H17NO2

Molecular Weight:

243.3010

MDL Number:

MFCD22665839

IUPAC Name:

tert-butyl 11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-11-carboxylate

InChI:

InChI=1S/C15H17NO2/c1-15(2,3)18-14(17)16-12-8-9-13(16)11-7-5-4-6-10(11)12/h4-9,12-13H,1-3H3

InChI Key:

KTZZRAGNIAZODS-UHFFFAOYSA-N

SMILES:

O=C(N1C2C=CC1c1c2cccc1)OC(C)(C)C

Complexity:

360

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

243.126g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

243.306g/mol

Monoisotopic Mass:

243.126g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8