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5-Ethynyl Nicotine

CAT: 0024-sc-210322Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-210322Size:5 mg
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CAS Number
179120-92-4

Chemical Information

3-Ethynyl-5-((2S)-1-methyl-2-pyrrolidinyl)pyridine

Altinicline is a small molecule drug. Altinicline has a monoisotopic molecular weight of 186.12 Da.

CAS Number179120-92-4
PubChem CID3036156
IUPAC Name3-ethynyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
Molecular FormulaC12H14N2
Molecular Weight186.25
XLogP1.4
Topological Polar Surface Area16.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity240
SMILES
CN1CCC[C@H]1C2=CN=CC(=C2)C#C
InChI
InChI=1S/C12H14N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h1,7-9,12H,4-6H2,2H3/t12-/m0/s1
InChIKey
NUPUDYKEEJNZRG-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of 3-Ethynyl-5-((2S)-1-methyl-2-pyrrolidinyl)pyridine
CAS: 179120-92-4
CID: 3036156
Formula: C12H14N2
MW: 186.25
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight186.25
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass186.115698455
Monoisotopic Mass186.115698455
Topological Polar Surface Area16.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity240
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
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sc-212379(+/-) -Nicotine
sc-212379A(+/-) -Nicotine
sc-208097BNicotine-d4
sc-208097Nicotine-d4
sc-219357R- (+) -Nicotine
sc-203161C(-) -Nicotine ditartrate

Alternative Products

CatalogName
FE23180-015-Ethynyl nicotine
MBS6083516-015-Triisopropylsilyl-ethynyl (S)-(-)-Nicotine
0223895-Triisopropylsilyl-ethynyl (S) - (-) -Nicotine
TRC-N413775-10MGS-(-)-Nicotine-5-carboxaldehyde
N05270-01Nicotine salicylate 97.5%
285139-01S-Nicotine-5-carboxaldehyde
AR-N08628-01Nicotine Related Compound 5
AR-N08638-01Nicotine Impurity 5 HCl
N2561-90US- (-) -Nicotine-D1’- (5’) -iminium Diperchlorate Salt (S- (-) -Nicotine-immonium Ion Diperchlorate Salt)
MBS6082628-01S-(-)-Nicotine-D1'-(5')-iminium Diperchlorate Salt (S-(-)-Nicotine-immonium Ion Diperchlorate Salt)

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