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2,3-butane diamine - ≥95%, high purity , CAS No.563-86-0
Basic Description
Specifications & Purity
≥95%
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Amines
Intermediate Tree Nodes
Primary amines
Direct Parent
Monoalkylamines
Alternative Parents
Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Organopnictogen compound - Hydrocarbon derivative - Primary aliphatic amine - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group.
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
butane-2,3-diamine
INCHI
InChI=1S/C4H12N2/c1-3(5)4(2)6/h3-4H,5-6H2,1-2H3
InChIKey
GHWVXCQZPNWFRO-UHFFFAOYSA-N
Smiles
CC(C(C)N)N
Isomeric SMILES
CC(C(C)N)N
PubChem CID
136362
Molecular Weight
88.15
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
88.150 g/mol
XLogP3
-0.800
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
88.1 Da
Monoisotopic Mass
88.1 Da
Topological Polar Surface Area
52.000 Ų
Heavy Atom Count
6
Formal Charge
0
Complexity
30.500
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
2
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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