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CAS 943516-54-9
Also known as: 943516-54-9, Mfcd13176114, Schembl1569373, Dtxsid40712413, Cs-m1048, Akos006381588
Molecular Formula
C7H13N
Molecular Weight
111.18  g/mol
InChI Key
BGOMFPZIMJCRDV-UHFFFAOYSA-N

1 2D Structure

CAS 943516-54-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6,6-dimethyl-3-azabicyclo[3.1.0]hexane
2.1.2 InChI
InChI=1S/C7H13N/c1-7(2)5-3-8-4-6(5)7/h5-6,8H,3-4H2,1-2H3
2.1.3 InChI Key
BGOMFPZIMJCRDV-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1(C2C1CNC2)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 943516-54-9

2. Mfcd13176114

3. Schembl1569373

4. Dtxsid40712413

5. Cs-m1048

6. Akos006381588

7. Sb20072

8. Ac-26249

9. Da-18259

10. Ds-17749

11. Sy033500

12. 6,6-dimethyl-3-azabicyclo-[3.1.0]hexane

13. Ft-0696412

14. En300-84156

15. P11584

16. 6,6-dimethyl-3-azabicyclo[3.1.0]hexane Boceprevir Key Intermediate

2.3 Create Date
2011-12-16
3 Chemical and Physical Properties
Molecular Weight 111.18 g/mol
Molecular Formula C7H13N
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass111.104799419 g/mol
Monoisotopic Mass111.104799419 g/mol
Topological Polar Surface Area12 Ų
Heavy Atom Count8
Formal Charge0
Complexity106
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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Nirmatrelvir
Synaptics Labs Private Limited is a young Pharmaceutical Company with a fully integrated and globally spe...
Synaptics Labs Private Limited is a young Pharmaceutical Company with a fully integrated and globally specialized in the development, production and marketing of API’s "Active Pharmaceuticals Ingredients" and its advanced Intermediates, thanks to our focus on satisfying our customers' requirements and supporting the consolidation of a robust infrastructure. The Company promoted by a team of technocrats holding a master’s degree in pharmaceuticals and who have been involved in different Pharmaceutical companies since 24years.
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565456-77-1
Nirmatrelvir
Synaptics Labs Private Limited is a young Pharmaceutical Company with a fully integrated and globally spe...
Synaptics Labs Private Limited is a young Pharmaceutical Company with a fully integrated and globally specialized in the development, production and marketing of API’s "Active Pharmaceuticals Ingredients" and its advanced Intermediates, thanks to our focus on satisfying our customers' requirements and supporting the consolidation of a robust infrastructure. The Company promoted by a team of technocrats holding a master’s degree in pharmaceuticals and who have been involved in different Pharmaceutical companies since 24years.
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666832-71-9
Nirmatrelvir
Synaptics Labs Private Limited is a young Pharmaceutical Company with a fully integrated and globally spe...
Synaptics Labs Private Limited is a young Pharmaceutical Company with a fully integrated and globally specialized in the development, production and marketing of API’s "Active Pharmaceuticals Ingredients" and its advanced Intermediates, thanks to our focus on satisfying our customers' requirements and supporting the consolidation of a robust infrastructure. The Company promoted by a team of technocrats holding a master’s degree in pharmaceuticals and who have been involved in different Pharmaceutical companies since 24years.
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