Name: Name:tert-butyl 8-amino-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxylate
Brand: Angene
SKU: AG01BVLA
Rating: 90 (10 reviews)

tert-butyl 8-amino-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxylate

CAS No.:

1205748-90-8

Catalog Number:

AG01BVLA

Molecular Formula:

C14H20N2O3

Molecular Weight:

264.3202

Catalog Number:

AG01BVLA

Chemical Name:

tert-butyl 8-amino-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxylate

CAS Number:

1205748-90-8

Molecular Formula:

C14H20N2O3

Molecular Weight:

264.3202

MDL Number:

MFCD14582640

IUPAC Name:

tert-butyl 8-amino-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxylate

InChI:

InChI=1S/C14H20N2O3/c1-14(2,3)19-13(17)16-6-7-18-12-8-11(15)5-4-10(12)9-16/h4-5,8H,6-7,9,15H2,1-3H3

InChI Key:

YTLWAUXRZLJQAH-UHFFFAOYSA-N

SMILES:

Nc1ccc2c(c1)OCCN(C2)C(=O)OC(C)(C)C

Complexity:

327

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

264.147g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

264.325g/mol

Monoisotopic Mass:

264.147g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7