200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 81795-61-1
81795-61-1 | 5-TERT-BUTYLHEXAHYDRO-4H-CYCLOPENTA[F][1,3,5]DIOXAZEPINE
CAS No: 81795-61-1 Catalog No: AG0056TD MDL No:
Product Description
Catalog Number:
AG0056TD
Chemical Name:
5-TERT-BUTYLHEXAHYDRO-4H-CYCLOPENTA[F][1,3,5]DIOXAZEPINE
CAS Number:
81795-61-1
Molecular Formula:
C11H21NO2
Molecular Weight:
199.2899
IUPAC Name:
5-tert-butyl-4,5a,6,7,8,8a-hexahydrocyclopenta[f][1,3,5]dioxazepine
InChI:
InChI=1S/C11H21NO2/c1-11(2,3)12-7-13-8-14-10-6-4-5-9(10)12/h9-10H,4-8H2,1-3H3
InChI Key:
HVPFQFXOQLBESC-UHFFFAOYSA-N
SMILES:
CC(N1COCOC2C1CCC2)(C)C
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.157g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.294g/mol
Monoisotopic Mass:
199.157g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.