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Details

Stereochemistry ACHIRAL
Molecular Formula C6H8N2.2ClH
Molecular Weight 181.063
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-AMINOMETHYLPYRIDINE DIHYDROCHLORIDE

SMILES

Cl.Cl.NCC1=CN=CC=C1

InChI

InChIKey=RBXRFBJTZFYBSZ-UHFFFAOYSA-N
InChI=1S/C6H8N2.2ClH/c7-4-6-2-1-3-8-5-6;;/h1-3,5H,4,7H2;2*1H

HIDE SMILES / InChI
Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C6H8N2
Molecular Weight 108.1411
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description
Curator's Comment: The description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/28391832

Picolylamine (PA), a derivatizing agent displaying a highly ESI-active pyridyl group that reacts with carboxylic acids in the presence of a condensation agent to form an amide derivative. Picolylamine is used as a derivatization reagent for the detection of endogenous carboxylic acids.

Originator

Seide, O.
2
Sources: Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen (1924), 57B, 1802-6

Approval Year

Unknown
139594
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Biological evaluation of hepatitis C virus helicase inhibitors.
2001 Jul 9
A general procedure for the enantioselective synthesis of the minor tobacco alkaloids nornicotine, anabasine, and anatabine.
2005 Oct 31
Silver(I) 3-aminomethylpyridine complexes, part 2: effect of ligand ratio, hydrogen bonding, and pi-stacking with an interacting anion.
2006 Mar 20
Silver(I) 3-aminomethylpyridine complexes, part 1: effect of ligand ratio, pi-stacking, and temperature with a noninteracting anion.
2006 Mar 20
Variations in product in reactions of naphthoquinone with primary amines.
2007 Mar 1
Redetermination of 3-(ammonio-meth-yl)pyridinium dichloride.
2009 Jul 11
Patents

Patents

03994905
8
04268676
6
04374248
5
04380638
5
04659725
9
04820822
21
05252741
3
05395838
2
05554783
3
05633375
2
05698579
2
05843942
3
05922711
7
20040116460
2
7101891
2
JP4791375B2
8
JPS5896087A
3

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:06:20 GMT 2023
Edited
by admin
on Fri Dec 15 15:06:20 GMT 2023
Record UNII
0HGC7ZD530
Record Status Validated (UNII)
Record Version
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Name Type Language
3-AMINOMETHYLPYRIDINE DIHYDROCHLORIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
31017
Created by admin on Fri Dec 15 15:06:20 GMT 2023 , Edited by admin on Fri Dec 15 15:06:20 GMT 2023
PRIMARY
CAS
22199-21-9
Created by admin on Fri Dec 15 15:06:20 GMT 2023 , Edited by admin on Fri Dec 15 15:06:20 GMT 2023
PRIMARY
FDA UNII
0HGC7ZD530
Created by admin on Fri Dec 15 15:06:20 GMT 2023 , Edited by admin on Fri Dec 15 15:06:20 GMT 2023
PRIMARY
EPA CompTox
DTXSID00176734
Created by admin on Fri Dec 15 15:06:20 GMT 2023 , Edited by admin on Fri Dec 15 15:06:20 GMT 2023
PRIMARY
Related Record Type Details
Structure of Picolamine
PARENT -> SALT/SOLVATE
NIH
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