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N-Methyl-d3-pyrrole

CAT: 0572-TRC-M326047-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M326047-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20687-13-2
Hazard Statement
Highly flammable liquid and vapour; UN number: UN1993; Packing Group: II
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])n1cccc1
Molecular Formula
C5 2H3 H4 N
Molecular Weight
84.13
InChI
InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3/i1D3
Additionnal Information
IUPAC name: 1-(trideuteriomethyl)pyrrole
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1-(~2~H_3_)Methyl-1H-pyrrole
CAS Number20687-13-2
PubChem CID46782306
IUPAC Name1-(trideuteriomethyl)pyrrole
Molecular FormulaC5H7N
Molecular Weight84.13
XLogP1.2
Topological Polar Surface Area4.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count6
Formal Charge0
Complexity37
SMILES
[2H]C([2H])([2H])N1C=CC=C1
InChI
InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3/i1D3
InChIKey
OXHNLMTVIGZXSG-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of 1-(~2~H_3_)Methyl-1H-pyrrole
CAS: 20687-13-2
CID: 46782306
Formula: C5H7N
MW: 84.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight84.13
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass84.076679465
Monoisotopic Mass84.076679465
Topological Polar Surface Area4.9 Ų
Heavy Atom Count6
Formal Charge0
Complexity37.2
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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