Name: Name:TERT-BUTYL 7-(HYDROXYMETHYL)-6-METHYL-4,5-DIHYDRO-1H-BENZO[D]AZEPINE-3(2H)-CARBOXYLATE
Brand: Angene
SKU: AG01DL44
Rating: 90 (10 reviews)

TERT-BUTYL 7-(HYDROXYMETHYL)-6-METHYL-4,5-DIHYDRO-1H-BENZO[D]AZEPINE-3(2H)-CARBOXYLATE

CAS No.:

1579517-92-2

Catalog Number:

AG01DL44

Molecular Formula:

C17H25NO3

Molecular Weight:

291.3853

Catalog Number:

AG01DL44

Chemical Name:

TERT-BUTYL 7-(HYDROXYMETHYL)-6-METHYL-4,5-DIHYDRO-1H-BENZO[D]AZEPINE-3(2H)-CARBOXYLATE

CAS Number:

1579517-92-2

Molecular Formula:

C17H25NO3

Molecular Weight:

291.3853

MDL Number:

MFCD30185787

IUPAC Name:

tert-butyl 7-(hydroxymethyl)-6-methyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate

InChI:

InChI=1S/C17H25NO3/c1-12-14(11-19)6-5-13-7-9-18(10-8-15(12)13)16(20)21-17(2,3)4/h5-6,19H,7-11H2,1-4H3

InChI Key:

XBORCJFMLXRLJD-UHFFFAOYSA-N

SMILES:

OCc1ccc2c(c1C)CCN(CC2)C(=O)OC(C)(C)C

Complexity:

364

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

291.183g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

291.391g/mol

Monoisotopic Mass:

291.183g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6