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Nicotine-d4

CAT: 1596-AR-N01415-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-N01415-01Size:10 Units
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CAS Number
350818-69-8
Synonyms
2,3,4,6-tetradeuterio-5- (1-methylpyrrolidin-2-yl) pyridine;3- (1-Methyl-2-pyrrolidinyl) pyridine-2,4,5,6-d4; (±) -Nicotine-d4; (±) -3- (1-Methyl-2-pyrrolidinyl) pyridine-d4; (R, S) -Nicotine-d4; (±) -Nicotine-d4; 1-Methyl-2- (3-pyridyl) pyrrolidine-d4; DL-Nicotine-d4; rac-Nicotine-d4
Molecular Formula
C10H10N2D4
Molecular Weight
166.26
API Name
Nicotine

Chemical Information

Nicotine-d4
CAS Number350818-69-8
PubChem CID45040014
IUPAC Name2,3,4,6-tetradeuterio-5-(1-methylpyrrolidin-2-yl)pyridine
Molecular FormulaC10H14N2
Molecular Weight166.26
XLogP1.2
Topological Polar Surface Area16.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity147
SMILES
[2H]C1=C(C(=C(N=C1[2H])[2H])C2CCCN2C)[2H]
InChI
InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/i2D,4D,6D,8D
InChIKey
SNICXCGAKADSCV-MNYIHESISA-N
Chemical Structure
2D Structure
2D structure of Nicotine-d4
CAS: 350818-69-8
CID: 45040014
Formula: C10H14N2
MW: 166.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.26
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass166.140805439
Monoisotopic Mass166.140805439
Topological Polar Surface Area16.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity147
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TMID-0255-01(+/-) -NICOTINE-d4
sc-208097BNicotine-d4
TRC-N412452-10MG(S)-(-)-Nicotine-d4
TRC-N412427-10MGrac-Nicotine-d4
sc-478224(S) - (-) -Nicotine-d4
MBS6040701-01Nicotine-d4 (Nicotine-2,4,5,6,-d4, 1-Methyl-2-(3-pyridyl-d4)-pyrrolidine)
TRC-N428007-5MGrac-Nicotine 1-Oxide-d4
N2561-90ENicotine-d4 (Nicotine-2,4,5,6, -d4, 1-Methyl-2- (3-pyridyl-d4) -pyrrolidine)
CS-O-34780(2'S) - Nicotine 1-Oxide-d4
TRC-N428002-25MG(2'S)-Nicotine 1-Oxide-d4

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