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2-Methyl-3-morpholinopropanehydrazide , CAS No.155219-09-3
Basic Description
Synonyms
2-methyl-3-morpholin-4-ylpropanohydrazide | 155219-09-3 | 2-methyl-3-(morpholin-4-yl)propanehydrazide | 2-methyl-3-morpholin-4-ylpropanehydrazide | 2-Methyl-3-morpholinopropanehydrazide | SCHEMBL17730414 | DTXSID80397182 | MFCD06345728 | STK504065 | AKOS000265332 | AKOS01634
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Morpholines Trialkylamines Carboxylic acid hydrazides Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Morpholine - Oxazinane - Carboxylic acid hydrazide - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic oxide - Amine - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
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
2-methyl-3-morpholin-4-ylpropanehydrazide
INCHI
InChI=1S/C8H17N3O2/c1-7(8(12)10-9)6-11-2-4-13-5-3-11/h7H,2-6,9H2,1H3,(H,10,12)
InChIKey
MNFUQKDADQKWNS-UHFFFAOYSA-N
Smiles
CC(CN1CCOCC1)C(=O)NN
Isomeric SMILES
CC(CN1CCOCC1)C(=O)NN
Molecular Weight
187.24
Reaxy-Rn
29643260
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29643260&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
187.240 g/mol
XLogP3
-1.000
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
187.132 Da
Monoisotopic Mass
187.132 Da
Topological Polar Surface Area
67.600 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
169.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
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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