CAS 866083-42-3 manufacturers and suppliers on PharmaCompass

CAS 866083-42-3

Granules India Limited has high volume world-class facilities for APIs, PFIs, & FDFs, serving customers in over 80 countries.

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Jai Radhe Sales is your partner for all your sourcing needs.

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xyz-pharma-m-2024-10-07

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Egis is a Hungarian generic pharma company with 110 years history. Our activities incorporate all areas of the pharma value chain.

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Biophore is a research-driven global pharmaceutical company focused on niche APIs for the generic industry.

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xyz-pharma-m-2024-10-07

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CHEMISTRY

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1 Suppliers, 1 End Use APIs, 13 Related Intermediates

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1 End Use APIs
13 Related Intermediates

Chemistry

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Also known as: 866083-42-3, Schembl4888142

Molecular Formula

C₆H₈N₂

Molecular Weight

108.14 g/mol

InChI Key

ZQSMZFIOPBRRKZ-SRQIZXRXSA-N

CAS 866083-42-3

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 Formula	C₆H₈N₂
Molecular Weight	108.14 g/mol
XLogP3	0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	108.068748264 g/mol
Monoisotopic Mass	108.068748264 g/mol
Topological Polar Surface Area	35.8 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	155
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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