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6-chloro-N-isopropylpyridazin-3-amine - 97%, high purity , CAS No.1007-55-2
Basic Description
Synonyms
AKOS000321685 | SY066184 | N-(6-CHLORO-3-PYRIDAZINYL)-N-ISOPROPYLAMINE | 6-chloro-N-propan-2-ylpyridazin-3-amine | AS-41024 | 6-Chloro-N-(1-methylethyl)-3-pyridazinamine | 6-chloro-N-isopropylpyridazin-3-amine | MFCD11125896 | STK505640 | SCHEMBL12411080
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyridazines and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Aminopyridazines
Alternative Parents
Imidolactams Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organochlorides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminopyridazine - Imidolactam - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aminopyridazines. These are organic compounds containing an amino group attached to a pyridazine ring.
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
Pubchem Sid
488197975
IUPAC Name
6-chloro-N-propan-2-ylpyridazin-3-amine
INCHI
InChI=1S/C7H10ClN3/c1-5(2)9-7-4-3-6(8)10-11-7/h3-5H,1-2H3,(H,9,11)
InChIKey
KFBDHWVJYXLFKF-UHFFFAOYSA-N
Smiles
CC(C)NC1=NN=C(C=C1)Cl
Isomeric SMILES
CC(C)NC1=NN=C(C=C1)Cl
Molecular Weight
171.63
Reaxy-Rn
639833
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=639833&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
171.630 g/mol
XLogP3
1.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
171.056 Da
Monoisotopic Mass
171.056 Da
Topological Polar Surface Area
37.800 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
118.000
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
1
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