CAS
94005-34-2 Purity
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94005-34-2 Purity
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![2'-[(2-Chlorophenyl)amino]-6'-(ethylhexylamino)spiro[isobenzofuran-1(3H),9'-[9h]xanthene]-3-one](https://resource.alfa-chemistry.com/structure/94006-03-8.gif)
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Nicotine citrate(2:1)
CAS
94006-00-5
Catalog Number
ACM94006005
Category
Other Products
Molecular Weight
516.58664
Molecular Formula
C26H36N4O7
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Specification
Synonyms
Bis((S)-nicotine) citrate, EINECS 301-336-3, 94006-00-5
IUPAC Name
2-hydroxypropane-1,2,3-tricarboxylic acid; 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
Canonical SMILES
CN1CCCC1C2=CN=CC=C2.CN1CCCC1C2=CN=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChI Key
YUYVXGFHICNTBI-RCWTXCDDSA-N
Boiling Point
648.5ºC at 760mmHg
Flash Point
346ºC
Density
g/cm³
EC Number
301-336-3
Exact Mass
516.25800
H-Bond Acceptor
11
H-Bond Donor
4
What is the molecular formula of Nicotine citrate(2:1)?
The molecular formula of Nicotine citrate(2:1) is C26H36N4O7.
What is the molecular weight of Nicotine citrate(2:1)?
The molecular weight of Nicotine citrate(2:1) is 516.6 g/mol.
What are the synonyms for Nicotine citrate(2:1)?
The synonyms for Nicotine citrate(2:1) include Bis((S)-nicotine) citrate and Nicotine hemicitrate.
When was Nicotine citrate(2:1) created and last modified in PubChem?
Nicotine citrate(2:1) was created on August 20, 2009, and last modified on December 30, 2023.
What is the IUPAC Name of Nicotine citrate(2:1)?
The IUPAC Name of Nicotine citrate(2:1) is 2-hydroxypropane-1,2,3-tricarboxylic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine.
What is the Canonical SMILES of Nicotine citrate(2:1)?
The Canonical SMILES of Nicotine citrate(2:1) is CN1CCCC1C2=CN=CC=C2.CN1CCCC1C2=CN=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.
What is the CAS number of Nicotine citrate(2:1)?
The CAS number of Nicotine citrate(2:1) is 94006-00-5.
How many hydrogen bond donor counts does Nicotine citrate(2:1) have?
Nicotine citrate(2:1) has 4 hydrogen bond donor counts.
What is the exact mass of Nicotine citrate(2:1)?
The exact mass of Nicotine citrate(2:1) is 516.25839950 g/mol.
Is Nicotine citrate(2:1) a canonicalized compound?
Yes, Nicotine citrate(2:1) is a canonicalized compound.
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CAS
94006-04-9 Purity
96%
94006-04-9 Purity
96%
