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CAS 866083-42-3 manufacturers and suppliers on PharmaCompass

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CAS 866083-42-3
Also known as: 866083-42-3, Schembl4888142
Molecular Formula
C6H8N2
Molecular Weight
108.14  g/mol
InChI Key
ZQSMZFIOPBRRKZ-SRQIZXRXSA-N

1 2D Structure

CAS 866083-42-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(1S,3S,5S)-2-azabicyclo[3.1.0]hexane-3-carbonitrile
2.1.2 InChI
InChI=1S/C6H8N2/c7-3-5-1-4-2-6(4)8-5/h4-6,8H,1-2H2/t4-,5+,6+/m1/s1
2.1.3 InChI Key
ZQSMZFIOPBRRKZ-SRQIZXRXSA-N
2.1.4 Canonical SMILES
C1C2CC2NC1C#N
2.1.5 Isomeric SMILES
C1[C@@H]2C[C@@H]2N[C@@H]1C#N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 866083-42-3

2. Schembl4888142

2.3 Create Date
2012-01-24
3 Chemical and Physical Properties
Molecular Weight 108.14 g/mol
Molecular Formula C6H8N2
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass108.068748264 g/mol
Monoisotopic Mass108.068748264 g/mol
Topological Polar Surface Area35.8 Ų
Heavy Atom Count8
Formal Charge0
Complexity155
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Flag India
Digital Content Digital Content
URL Supplier Web Content
593-71-5
Saxagliptin
At Infinium Pharmachem Pvt. Ltd., we are well focused to Iodine chemistry & this is the only core area of...
At Infinium Pharmachem Pvt. Ltd., we are well focused to Iodine chemistry & this is the only core area of ours. We are working as CRAMS, but our domain is very restricted to Iodine chemistry & it revolves around Iodine derivatives or Iodination. We manufacture & supply wide range of superior quality Iodine Derivatives & API Since 2003. We are also providing fully integrated customized services from R & D to Commercial scale manufacturing and packaging for our products to the Pharmaceutical,Agrochemical,Nutraceutical, Speciality Chemicals & various other chemical Industries.
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