Ricinine-d3

CAT: 0572-TRC-R495552-5MGSize: 5 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-R495552-5MGSize:5 mg

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CAS Number

1313734-77-8

Hazard Statement

Toxic if swallowed; UN number: UN2811; Packing Group: III

Purity

>95% (HPLC)

Smiles

[2H]C([2H])([2H])N1C=CC(=C(C#N)C1=O)OC

Molecular Formula

C8 H5 D3 N2 O2

Molecular Weight

167.1806

InChI

InChI=1S/C8H8N2O2/c1-10-4-3-7(12-2)6(5-9)8(10)11/h3-4H,1-2H3/i1D3

Additionnal Information

IUPAC name: 4-methoxy-2-oxo-1-(trideuteriomethyl)pyridine-3-carbonitrile

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

Ricinine-d3

See also: Ricinine (annotation moved to).

CAS Number	1313734-77-8
PubChem CID	71309804
IUPAC Name	4-methoxy-2-oxo-1-(trideuteriomethyl)pyridine-3-carbonitrile
Molecular Formula	C8H8N2O2
Molecular Weight	167.18
XLogP	0
Topological Polar Surface Area	53.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	319

SMILES

[2H]C([2H])([2H])N1C=CC(=C(C1=O)C#N)OC

InChI

InChI=1S/C8H8N2O2/c1-10-4-3-7(12-2)6(5-9)8(10)11/h3-4H,1-2H3/i1D3

InChIKey

PETSAYFQSGAEQY-FIBGUPNXSA-N

Chemical Structure

2D Structure

CAS: 1313734-77-8

CID: 71309804

Formula: C8H8N2O2

MW: 167.18

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	167.18
XLogP3	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	167.077407740
Monoisotopic Mass	167.077407740
Topological Polar Surface Area	53.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	319
Isotope Atom Count	3
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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sc-476751	Ricinine-d3
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MBS6082398-01	N-Demethyl Ricinine
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Ricinine-d3

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