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1-amino-1H-pyrrole-2-carbonitrile hydrochloride - 97%, high purity , CAS No.937046-97-4
Discover 1-amino-1H-pyrrole-2-carbonitrile hydrochloride by Aladdin Scientific in 97% for only $584.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
937046-97-4 | 1-Amino-1H-pyrrole-2-carbonitrile hydrochloride | 1-Aminopyrrole-2-carbonitrile hydrochloride | 1-AMINO-1H-PYRROLE-2-CARBONITRILE HCL | 1-aminopyrrole-2-carbonitrile;hydrochloride | MFCD13191739 | SCHEMBL60097 | DTXSID30679167 | OQTSWPFWLRHRAN-UHFFFAOYSA-N |
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrroles
Subclass
Substituted pyrroles
Intermediate Tree Nodes
Not available
Direct Parent
Substituted pyrroles
Alternative Parents
Heteroaromatic compounds Nitriles Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Substituted pyrrole - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as substituted pyrroles. These are heterocyclic compounds containing a pyrrole ring substituted at one or more positions.
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
1-aminopyrrole-2-carbonitrile;hydrochloride
INCHI
InChI=1S/C5H5N3.ClH/c6-4-5-2-1-3-8(5)7;/h1-3H,7H2;1H
InChIKey
OQTSWPFWLRHRAN-UHFFFAOYSA-N
Smiles
C1=CN(C(=C1)C#N)N.Cl
Isomeric SMILES
C1=CN(C(=C1)C#N)N.Cl
Molecular Weight
143.57
Reaxy-Rn
15495736
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15495736&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
143.570 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
143.025 Da
Monoisotopic Mass
143.025 Da
Topological Polar Surface Area
54.700 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
123.000
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
2
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