(+/-) -Nicotine-methyl-d3

CAT: 0024-sc-212383Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-212383Size:25 mg

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CAS Number

69980-24-1

Chemical Information

3-[1-(Trideuteriomethyl)pyrrolidin-2-yl]pyridine

See also: 3-[1-(Methyl-d3)-2-pyrrolidinyl]pyridine (annotation moved to).

CAS Number	69980-24-1
PubChem CID	10630878
IUPAC Name	3-[1-(trideuteriomethyl)pyrrolidin-2-yl]pyridine
Molecular Formula	C10H14N2
Molecular Weight	165.25
XLogP	1.2
Topological Polar Surface Area	16.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	147

SMILES

[2H]C([2H])([2H])N1CCCC1C2=CN=CC=C2

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/i1D3

InChIKey

SNICXCGAKADSCV-FIBGUPNXSA-N

Chemical Structure

2D Structure

CAS: 69980-24-1

CID: 10630878

Formula: C10H14N2

MW: 165.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	165.25
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	165.134528693
Monoisotopic Mass	165.134528693
Topological Polar Surface Area	16.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	147
Isotope Atom Count	3
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-220316A	(+/-) -trans-Nicotine-1'-oxide-methyl-d3
sc-220316	(+/-) -trans-Nicotine-1'-oxide-methyl-d3
sc-219363	(+/-) -Nicotine-3'-d3
sc-301470	(±) -Nicotine-d3 salicylate salt
sc-212385	Rac-Nicotine-d3 N-β-D-Glucuronide
sc-219365	Nicotine-N- (4-deoxy-4,5-didehydro) -β-D-glucuronide, Methyl-d3
sc-229281	Sarcosine-d3 (methyl-d3)
sc-218557	Galanthamine-O- (methyl-d3) -N- (methyl-d3)
sc-212379B	(+/-) -Nicotine
sc-212379	(+/-) -Nicotine

Catalog	Name
MBS6047310-01	(+/-)-Nicotine-methyl-d3 (Trideuteromethyl-nicotine, 1-Methyl-d3-2-(3-pyridyl)-pyrrolidine)
N2561-90D	(+/-) -Nicotine-methyl-d3 (Trideuteromethyl-nicotine, 1-Methyl-d3-2- (3-pyridyl) -pyrrolidine)
UCA98024-01	(±) -Nicotine-d3
CS-O-06811	Nicotine-d3
MBS6063072-01	Nicotine-N-b-glucuronide, Methyl-d3
N2561-90W	(+/-) -trans-Nicotine-1’-oxide-methyl-d3
MBS6036368-01	(+/-)-trans-Nicotine-1'-oxide-methyl-d3
465127-01	S- (-) -Nicotine-d3
TRC-N412425-50MG	rac-Nicotine-d3
TRC-N412454-5MG	(S)-(-)-Nicotine-d3