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N-Methyl-l-isoleucine, HCl - 95%, high purity , CAS No.66866-68-0
Discover N-Methyl-l-isoleucine, HCl by Aladdin Scientific in 95% for only $3,153.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
66866-68-0 | (2S,3S)-3-Methyl-2-(methylamino)pentanoic acid hydrochloride | N-Methyl-L-isoleucine hydrochloride | (2S,3S)-3-methyl-2-(methylamino)pentanoic acid;hydrochloride | N-Me-Ile-OH | N-Methyl-L-isoleucine HCl | METHYL-L-ISOLEUCINE HCL | SCHEMBL17113020 | DTXSID00
Specifications & Purity
≥95%
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 - Alpha amino acids and derivatives
Direct Parent
Isoleucine and derivatives
Alternative Parents
L-alpha-amino acids Methyl-branched fatty acids Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Isoleucine or derivatives - Alpha-amino acid - L-alpha-amino acid - Branched fatty acid - Methyl-branched fatty acid - Fatty acid - Fatty acyl - Amino acid - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as isoleucine and derivatives. These are compounds containing isoleucine or a derivative thereof resulting from reaction of isoleucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
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
(2S,3S)-3-methyl-2-(methylamino)pentanoic acid;hydrochloride
INCHI
InChI=1S/C7H15NO2.ClH/c1-4-5(2)6(8-3)7(9)10;/h5-6,8H,4H2,1-3H3,(H,9,10);1H/t5-,6-;/m0./s1
InChIKey
MMBGZHHBWVCZFK-GEMLJDPKSA-N
Smiles
CCC(C)C(C(=O)O)NC.Cl
Isomeric SMILES
CC[C@H](C)[C@@H](C(=O)O)NC.Cl
PubChem CID
56777139
Molecular Weight
181.7
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
181.660 g/mol
XLogP3
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
181.087 Da
Monoisotopic Mass
181.087 Da
Topological Polar Surface Area
49.300 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
114.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
2
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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