Name: Name:tert-butyl 7-aMino-1,2,4,5-tetrahydrobenzo[d]azepine-3-carboxylate
Brand: Angene
SKU: AG0095VT
Rating: 90 (10 reviews)

tert-butyl 7-aMino-1,2,4,5-tetrahydrobenzo[d]azepine-3-carboxylate

CAS No.:

118454-24-3

Catalog Number:

AG0095VT

Molecular Formula:

C15H22N2O2

Molecular Weight:

262.3474

Catalog Number:

AG0095VT

Chemical Name:

tert-butyl 7-aMino-1,2,4,5-tetrahydrobenzo[d]azepine-3-carboxylate

CAS Number:

118454-24-3

Molecular Formula:

C15H22N2O2

Molecular Weight:

262.3474

MDL Number:

MFCD11046302

IUPAC Name:

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

InChI:

InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-8-6-11-4-5-13(16)10-12(11)7-9-17/h4-5,10H,6-9,16H2,1-3H3

InChI Key:

PNIRXSPRJRSPJH-UHFFFAOYSA-N

SMILES:

Nc1ccc2c(c1)CCN(CC2)C(=O)OC(C)(C)C

Complexity:

325

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

262.168g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

262.353g/mol

Monoisotopic Mass:

262.168g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4