Name: Name:3H-3-Benzazepine-3-carboxylic acid, 1,2,4,5-tetrahydro-7-hydroxy-,1,1-dimethylethyl ester
Brand: Angene
SKU: AG00HXPJ
Rating: 90 (10 reviews)

3H-3-Benzazepine-3-carboxylic acid, 1,2,4,5-tetrahydro-7-hydroxy-,1,1-dimethylethyl ester

CAS No.:

149354-10-9

Catalog Number:

AG00HXPJ

Molecular Formula:

C15H21NO3

Molecular Weight:

263.3321

Catalog Number:

AG00HXPJ

Chemical Name:

3H-3-Benzazepine-3-carboxylic acid, 1,2,4,5-tetrahydro-7-hydroxy-,1,1-dimethylethyl ester

CAS Number:

149354-10-9

Molecular Formula:

C15H21NO3

Molecular Weight:

263.3321

MDL Number:

MFCD12408171

IUPAC Name:

tert-butyl 7-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate

InChI:

InChI=1S/C15H21NO3/c1-15(2,3)19-14(18)16-8-6-11-4-5-13(17)10-12(11)7-9-16/h4-5,10,17H,6-9H2,1-3H3

InChI Key:

CUVFQINKSGIQML-UHFFFAOYSA-N

SMILES:

Oc1ccc2c(c1)CCN(CC2)C(=O)OC(C)(C)C

Complexity:

324

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

263.152g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

263.337g/mol

Monoisotopic Mass:

263.152g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7