U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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
Redetermination of 3-(ammonio-meth-yl)pyridinium dichloride.
2009 Jul 11
Isolation and characterization of low-sulphur-tolerant mutants of Arabidopsis.
2010 Jul
(3-Pyrid-yl)methanaminium 4-nitro-phenolate 4-nitro-phenol solvate.
2010 Jun 16
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
  • Download
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
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966