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3-Methyl-benzoylhydrazide - 97%, high purity , CAS No.13050-47-0
Basic Description
Synonyms
1-methylbenzene-3-carbohydrazide | 3-Methylbenzohydrazide # | 3-methylbenzoyl hydrazine | BB 0240603 | NSC 116189 | AI3-26299 | 2-AMINO-4-(2-METHYLPHENYL)THIAZOLE | m-Toluic acid hydrazide | BRD-K38415538-001-01-0 | JS-3023 | ChemDiv3_010387 | DTXSID20156
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acids and derivatives
Alternative Parents
m-Toluamides Benzoyl derivatives Carboxylic acid hydrazides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
M-toluamide - Toluamide - Benzoic acid or derivatives - Benzoyl - Toluene - Carboxylic acid hydrazide - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene 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
504755648
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504755648
IUPAC Name
3-methylbenzohydrazide
INCHI
InChI=1S/C8H10N2O/c1-6-3-2-4-7(5-6)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)
InChIKey
XFNNAMBYJSQXKF-UHFFFAOYSA-N
Smiles
CC1=CC(=CC=C1)C(=O)NN
Isomeric SMILES
CC1=CC(=CC=C1)C(=O)NN
Molecular Weight
150.18
Beilstein
2045125
Reaxy-Rn
2045125
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2045125&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
150.180 g/mol
XLogP3
0.700
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
150.079 Da
Monoisotopic Mass
150.079 Da
Topological Polar Surface Area
55.100 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
147.000
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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H1528056