Name: Name:3-(tert-Butoxycarbonyl)-2,3,4,5-tetrahydro-1h-benzo[d]azepine-7-carboxylic acid
Brand: Angene
SKU: AG001LME
Rating: 90 (10 reviews)

3-(tert-Butoxycarbonyl)-2,3,4,5-tetrahydro-1h-benzo[d]azepine-7-carboxylic acid

CAS No.:

149353-73-1

Catalog Number:

AG001LME

Molecular Formula:

C16H20NO4-

Molecular Weight:

290.3343

Catalog Number:

AG001LME

Chemical Name:

3-(tert-Butoxycarbonyl)-2,3,4,5-tetrahydro-1h-benzo[d]azepine-7-carboxylic acid

CAS Number:

149353-73-1

Molecular Formula:

C16H20NO4-

Molecular Weight:

290.3343

MDL Number:

MFCD09264010

IUPAC Name:

3-[(2-methylpropan-2-yl)oxycarbonyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxylic acid

InChI:

InChI=1S/C16H21NO4/c1-16(2,3)21-15(20)17-8-6-11-4-5-13(14(18)19)10-12(11)7-9-17/h4-5,10H,6-9H2,1-3H3,(H,18,19)

InChI Key:

CJOYUDHDAPSYRD-UHFFFAOYSA-N

SMILES:

O=C(N1CCc2c(CC1)ccc(c2)C(=O)[O-])OC(C)(C)C

Complexity:

402

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

291.147g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

291.347g/mol

Monoisotopic Mass:

291.147g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6