Basic information
- CAS
15190-08-6- Standard SMILES
CN(C)C(C#N)c1ccc(Cl)cc1- InChIKey
UWSLRLXBDMTSFR-UHFFFAOYSA-N- Molecular formula
- C10H11ClN2
- Average molar mass
- 194.66 g/mol
- Monoisotopic mass
- 194.0610761
Names & identifiers
- Preferred name
- (4-Chlorophenyl)(dimethylamino)acetonitrile
- IUPAC
- 2-(4-chlorophenyl)-2-(dimethylamino)acetonitrile
- English name
- 4-Chloro-α-(dimethylamino)benzeneacetonitrile
- Molecular formula
- C10H11ClN2
- Molecular weight
- 194.66
Names & synonyms
15190-08-6(4-Chlorophenyl)(dimethylamino)acetonitrileDTXSID30934364RefChem:1050412DTXCID1013630142-(4-chlorophenyl)-2-(dimethylamino)acetonitrile4-Chloro-alpha-(dimethylamino)benzeneacetonitrileBRN 2722922alpha-Dimethylamino-4-chlorophenylacetonitrile2-(p-Chlorophenyl)-2-(dimethylamino)acetonitrileMFCD01672927ACETONITRILE, (p-CHLOROPHENYL)(DIMETHYLAMINO)-
Show more names
-(dimethylamino)benzeneacetonitrile4-Chloro-α-(dimethylamino)benzeneacetonitrileBenzeneacetonitrile, 4-chloro-α-(dimethylamino)-alpha-(Dimethylamino)-4-chlorophenylacetonitrile
SCHEMBL9493695QAA19008AKOS002303358AKOS016053302CS-10043CS-0206450ST503302874-Chloro-|A-(dimethylamino)benzeneacetonitrile
Database identifiers
- CAS
15190-08-6- PubChem CID
- 27129
- DTXSID
DTXSID30934364- Nikkaji
- J54.997E
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- HS Code
- 2926907090 · 2926907090
- Toxicity
- 50 · mouse,LD50,intravenous,56mg/kg (56mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#05335,
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
- hs_code
- 2926907090
- Toxicity
- mouse,LD50,intravenous,56mg/kg (56mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#05335,
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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