Name: Name:(Z)-tert-Butyl 2,3,6,7-tetrahydroazepine-1-carboxylate
Brand: Angene
SKU: AG00CIRB
Rating: 90 (10 reviews)

(Z)-tert-Butyl 2,3,6,7-tetrahydroazepine-1-carboxylate

CAS No.:

317336-73-5

Catalog Number:

AG00CIRB

Molecular Formula:

C11H19NO2

Molecular Weight:

197.2741

Catalog Number:

AG00CIRB

Chemical Name:

(Z)-tert-Butyl 2,3,6,7-tetrahydroazepine-1-carboxylate

CAS Number:

317336-73-5

Molecular Formula:

C11H19NO2

Molecular Weight:

197.2741

MDL Number:

MFCD10688298

IUPAC Name:

tert-butyl 2,3,6,7-tetrahydroazepine-1-carboxylate

InChI:

InChI=1S/C11H19NO2/c1-11(2,3)14-10(13)12-8-6-4-5-7-9-12/h4-5H,6-9H2,1-3H3

InChI Key:

XUNAYZIHVQJKGX-UHFFFAOYSA-N

SMILES:

O=C(N1CCC=CCC1)OC(C)(C)C

Complexity:

218

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

197.142g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

197.278g/mol

Monoisotopic Mass:

197.142g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3