Isoaminile
Basic information
- CAS
77-51-0- Standard SMILES
CC(CC(C#N)(c1ccccc1)C(C)C)N(C)C- InChIKey
WFLSCFISQHLEED-UHFFFAOYSA-N- Molecular formula
- C16H24N2
- Average molar mass
- 244.37 g/mol
- Monoisotopic mass
- 244.19394877
Overview
Isoaminile is an alkylbenzene.
Names & identifiers
- Preferred name
- Isoaminile
- IUPAC
- 4-(dimethylamino)-2-phenyl-2-propan-2-ylpentanenitrile
- English name
- isoaminile
- Molecular formula
- C16H24N2
- Molecular weight
- 244.38
Names & synonyms
Isoaminile77-51-0IsoaminiloDimyrilIsoaminilum2c-b-anDTXSID5057830R4823W2PQLDTXCID2031619RefChem:923624R05DB04201-033-5
Show more names
SLC16A10TAT-1MCT10Brn 2849321Einecs 201-033-5
4-dimethylamino-2-isopropyl-2-phenylvaleronitrile/OD/ alpha-(2-(dimethylamino)pro pyl)-alpha-(1-methylethyl)benzeneacetonitrileApreconIsoaminilNullatuss4-(dimethylamino)-2-phenyl-2-propan-2-ylpentanenitrile4-Dimethylamino-2-isopropyl-2-phenylvaleronitrileIsoaminile (INN)4-(Dimethylamino)-2-phenyl-2-(propan-2-yl)pentanenitrile
Database identifiers
- CAS
77-51-0- PubChem CID
- 6481
- DTXSID
DTXSID5057830- ChEMBL
CHEMBL2105002- ChEBI
CHEBI:134996- UNII
- R4823W2PQL
- EC Number
- 201-033-5
- Nikkaji
- J4.205F
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 293
Experimental & physicochemical properties
Human DrugsPharmaceuticals
Physicochemical properties
- Boiling point
- 3 · bp3 138-146°
- Density
- 1.008 · 1.0080 (rough estimate)
- refractive index
- 1.5519 · 1.5519 (estimate)
- storage temp.
- -196 °C · -196°C
- pka
- 9.02 · 9.02±0.50(Predicted)
- form
- buffered aqueous solution
- biological source
- rabbit
- FDA UNII
- 4823 W2PQL · R4823W2PQL
- ATC code
- 5 DB04 · R05DB04
- UNSPSC Code
- 12352203 · 12352203
- NACRES
- 41 · NA.41
- WGK Germany
- nwg
- Storage Class
- 10 · 10 - Combustible liquids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- nwg
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Pharmacology
ATC Code
R - Respiratory system
QR - Respiratory system
MeSH Pharmacological ClassificationAgents that suppress cough. They act centrally on the medullary cough center. EXPECTORANTS, also used in the treatment of cough, act locally.
Uses & manufacturing
Use ClassificationPharmaceuticals
Applications
UsesTreatment of rheumatoid arthritis.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Isoaminile is an alkylbenzene.
Suppliers
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Related reactions
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Compound notes
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