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N-(4-Aminobutyl)acetamide - 97.0%, high purity , CAS No.5699-41-2
Basic Description
Synonyms
Q27102595 | DTXSID80205596 | Putrescine, N-acetyl- | N-acetylputrescinehydrochloride | BH166424 | CHEBI:17768 | Z600498842 | A4036 | AKOS005215796 | H12005 | 8FTM5ZL5A6 | UNII-8FTM5ZL5A6 | 4-acetylaminobutylamine | BDBM50405938 | C02714 | Q27082823 | N-(4
Specifications & Purity
≥97%
Storage Temp
Argon charged
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboximidic acids and derivatives
Subclass
Carboximidic acids
Intermediate Tree Nodes
Not available
Direct Parent
Carboximidic acids
Alternative Parents
Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as carboximidic acids. These are organic acids with the general formula RC(=N)-OH (R=H, organic group).
External Descriptors
an aliphatic N -acetyl-diamine
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.
Associated Targets(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
488187672
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488187672
IUPAC Name
N-(4-aminobutyl)acetamide
INCHI
InChI=1S/C6H14N2O/c1-6(9)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9)
InChIKey
KLZGKIDSEJWEDW-UHFFFAOYSA-N
Smiles
CC(=O)NCCCCN
Isomeric SMILES
CC(=O)NCCCCN
Molecular Weight
130.19
Reaxy-Rn
1749697
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1749697&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Air Sensitive
Refractive Index
1.48
Boil Point(°C)
120°C/0.6mmHg(lit.)
Molecular Weight
130.190 g/mol
XLogP3
-0.700
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
4
Exact Mass
130.111 Da
Monoisotopic Mass
130.111 Da
Topological Polar Surface Area
55.100 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
83.100
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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G2322853