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6-(aminomethyl)pyridine-3-carbonitrile dihydrochloride - 97%, high purity , CAS No.1350362-43-4
Basic Description
Synonyms
1350362-43-4 | 6-(aminomethyl)pyridine-3-carbonitrile dihydrochloride | 6-(aminomethyl)nicotinonitrile dihydrochloride | 6-(aminomethyl)pyridine-3-carbonitrile;dihydrochloride | 6-(aminomethyl)pyridine-3-carbonitrile 2hcl | 6-(aminomethyl)pyridine-3-carbonitriledih
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
2-pyridylmethylamines
Intermediate Tree Nodes
Not available
Direct Parent
2-pyridylmethylamines
Alternative Parents
3-pyridinecarbonitriles Aralkylamines Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-pyridylmethylamine - 3-pyridinecarbonitrile - Aralkylamine - Heteroaromatic compound - Carbonitrile - Nitrile - Azacycle - Amine - Hydrochloride - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Primary aliphatic amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-pyridylmethylamines. These are aromatic heterocyclic compounds contaning a pyridine ring which is substituted at the 2-position with a methylamine.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
6-(aminomethyl)pyridine-3-carbonitrile;dihydrochloride
INCHI
InChI=1S/C7H7N3.2ClH/c8-3-6-1-2-7(4-9)10-5-6;;/h1-2,5H,4,9H2;2*1H
InChIKey
SWLHCVDQOMSOAV-UHFFFAOYSA-N
Smiles
C1=CC(=NC=C1C#N)CN.Cl.Cl
Isomeric SMILES
C1=CC(=NC=C1C#N)CN.Cl.Cl
PubChem CID
124201911
Molecular Weight
206.07
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
206.070 g/mol
XLogP3
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
205.017 Da
Monoisotopic Mass
205.017 Da
Topological Polar Surface Area
62.700 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
146.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
3
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