4-((Dimethylamino)methyl)benzonitrile
Basic information
- CAS
35525-86-1- Standard SMILES
CN(C)Cc1ccc(C#N)cc1- InChIKey
QCSOEUMGZOKXPJ-UHFFFAOYSA-N- Molecular formula
- C10H12N2
- Average molar mass
- 160.22 g/mol
- Monoisotopic mass
- 160.10004839
Names & identifiers
- Preferred name
- 4-((Dimethylamino)methyl)benzonitrile
- IUPAC
- 4-[(dimethylamino)methyl]benzonitrile
- English name
- 4-[(DIMETHYLAMINO)METHYL]BENZONITRILE
- Molecular formula
- C10H12N2
- Molecular weight
- 160.22
Names & synonyms
35525-86-14-[(dimethylamino)methyl]benzonitrile4-((dimethylamino)methyl)benzonitrileDTXSID00356574RefChem:286462DTXCID10307633860-548-9MFCD000295784-(dimethylaminomethyl)benzonitrileSCHEMBL156261N,N-dimethyl-4-cyanobenzylamineN,N-dimethyl-4-cyano benzylamine
Show more names
4-cyano-N,N-dimethylbenzylamineBenzonitrile,4-[(diMethylaMino)Methyl]-
AE-641/00191044WHYQCSOEUMGZSCHEMBL6246127QCSOEUMGZOKXPJ-UHFFFAOYSA-NHMS1788P09KBA52586XH1095
Database identifiers
- CAS
35525-86-1- PubChem CID
- 826329
- DTXSID
DTXSID00356574- EC Number
- 860-548-9
- Nikkaji
- J684.061B
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- HS Code
- 2926907090 · 2926907090
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2926907090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
2 records
Compound notes
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