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Basic information
- CAS
125-79-1- Standard SMILES
CC(CC(C#N)(c1ccccc1)c1ccccc1)N(C)C- InChIKey
GJJQIGFCGLPOQK-UHFFFAOYSA-N- Molecular formula
- C19H22N2
- Average molar mass
- 278.4 g/mol
- Monoisotopic mass
- 278.1782987
Overview
Methadone-Intermediate, 4-cyano-2-dimethylamino-4,4-diphenyl butane is a DEA Schedule II controlled substance. Substances in the DEA Schedule II have a high potential for abuse which may lead to severe psychological or physical dependence. It is a Opiates substance.
Names & identifiers
- Preferred name
- Didiavalo
- IUPAC
- 4-(dimethylamino)-2,2-diphenylpentanenitrile
- English name
- 4-dimethylamino-2,2-diphenylvaleronitrile
- Molecular formula
- C19H22N2
- Molecular weight
- 278.39
Names & synonyms
DidiavaloMethadone intermediatePremethadone4-(Dimethylamino)-2,2-diphenylvaleronitrilePremethadon4-Dimethylamino-2,2-diphenylvaleronitrile2,2-Diphenyl-4-(dimethylamino)valeronitrileMethadon-zwischenproduktDTXSID10489122,2-Diphenyl-4-dimethylaminovaleronitrileNSC 20890GYB2HJA89
Show more names
NSC 50382Methadone Nitrile)Methadone Impurity BMethadone Related Compound BMethadone USP Related Compound BMethadone Hydrochloride Impurity B
NSC-2089EINECS 204-755-9NSC-50382IDS-NM-0034-cyano-2-dimethylamino-4,4-diphenyl butaneDTXCID4028838Valeronitrile, 4-(dimethylamino)-2,2-diphenyl-Benzeneacetonitrile, alpha-(2-(dimethylamino)propyl)-alpha-phenyl-
Database identifiers
- CAS
125-79-1、75281-86-6- PubChem CID
- 31331
- DTXSID
DTXSID1048912
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 335
Experimental & physicochemical properties
DrugsDEA Schedule II Controlled Substance -> Opiates
Physicochemical properties
- Melting point
- 90 · 90-91 °C
- Boiling point
- 166 · 166-167 °C(Press: 0.2 Torr)
- Density
- 1.032 · 1.032±0.06 g/cm3(Predicted)
- pka
- 8.89 · 8.89±0.50(Predicted)
- FDA UNII
- 0 GYB2HJA89 · 0GYB2HJA89
- EPA Substance Registry System
- 2 · 2,2-Diphenyl-4-(dimethylamino)valeronitrile (125-79-1)
- Symbol(GHS)
- 8 · GHS08,GHS06
- Signal word
- Danger
- Hazard statements
- 319 · H319-H362-H341-H315-H360-H300
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P201-P260-P263-P264-P270-P308+P313-P264-P270-P301+P310-P321-P330-P405-P501-P201-P202-P281-P308+P313-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H300 (66.7%): Fatal if swallowed [Danger Acute toxicity, oral]
P203, P260, P263, P264, P264+P265, P270, P280, P301+P316, P301+P317, P302+P352, P305+P351+P338, P318, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
DEA schedule II controlled substance
Status: Active Update: 24-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25653
Hazard Classes and CategoriesAcute Tox. 2 (66.7%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS06
- Hazard statements
- H319-H362-H341-H315-H360-H300
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P201-P260-P263-P264-P270-P308+P313-P264-P270-P301+P310-P321-P330-P405-P501-P201-P202-P281-P308+P313-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362
- DEA Controlled Substances
- CSCN: 9254CSA SCH: Schedule IINARC: Yes
Chemistry & industry
Applications
UsesIntermediate in the production of Methadone.
Related reactions
3 records
Compound notes
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