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Structure

(+/-)-Nicotine-13Cd3

CAS
909014-86-4
Catalog Number
ACM909014864
Category
Other Products
Molecular Weight
166.24
Molecular Formula
C913CH11D3N2

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Specification

Synonyms
3-[1-(Methyl-13C-d3)-2-pyrrolidinyl]pyridine;
IUPAC Name
3-[1-(trideuteriomethyl)pyrrolidin-2-yl]pyridine
Canonical SMILES
CN1CCCC1C2=CN=CC=C2
InChI Key
SNICXCGAKADSCV-KQORAOOSSA-N
Density
1.051g/cm³
Appearance
Brown Oil
Exact Mass
166.13800
H-Bond Acceptor
2
H-Bond Donor
0
What is the PubChem CID of (+/-)-Nicotine-13Cd3?

The PubChem CID of (+/-)-Nicotine-13Cd3 is 46783612.

What is the molecular formula of (+/-)-Nicotine-13Cd3?

The molecular formula of (+/-)-Nicotine-13Cd3 is C10H14N2.

What is the molecular weight of (+/-)-Nicotine-13Cd3?

The molecular weight of (+/-)-Nicotine-13Cd3 is 166.24 g/mol.

What is the IUPAC name of (+/-)-Nicotine-13Cd3?

The IUPAC name of (+/-)-Nicotine-13Cd3 is 3-[1-(trideuterio(113C)methyl)pyrrolidin-2-yl]pyridine.

What is the InChI of (+/-)-Nicotine-13Cd3?

The InChI of (+/-)-Nicotine-13Cd3 is 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/i1+1D3.

What is the InChIKey of (+/-)-Nicotine-13Cd3?

The InChIKey of (+/-)-Nicotine-13Cd3 is SNICXCGAKADSCV-KQORAOOSSA-N.

What is the canonical SMILES of (+/-)-Nicotine-13Cd3?

The canonical SMILES of (+/-)-Nicotine-13Cd3 is CN1CCCC1C2=CN=CC=C2.

How many hydrogen bond donor counts does (+/-)-Nicotine-13Cd3 have?

(+/-)-Nicotine-13Cd3 has 0 hydrogen bond donor counts.

What is the topological polar surface area of (+/-)-Nicotine-13Cd3?

The topological polar surface area of (+/-)-Nicotine-13Cd3 is 16.1Ų.

Is (+/-)-Nicotine-13Cd3 a canonicalized compound?

Yes, (+/-)-Nicotine-13Cd3 is a canonicalized compound.

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