N,N-diethyl-p-toluidine
Basic information
- CAS
613-48-9- Standard SMILES
CCN(CC)c1ccc(C)cc1- InChIKey
HKJNHYJTVPWVGV-UHFFFAOYSA-N- Molecular formula
- C11H17N
- Average molar mass
- 163.26 g/mol
- Monoisotopic mass
- 163.13609954
Names & identifiers
- Preferred name
- N,N-diethyl-p-toluidine
- IUPAC
- N,N-diethyl-4-methylaniline
- English name
- N,N-DIETHYL-P-TOLUIDINE
- Molecular formula
- C11H17N
- Molecular weight
- 163.26
Names & synonyms
N,N-Diethyl-p-toluidineBenzenamine, N,N-diethyl-4-methyl-N,N-Diethyl-p-toluidinium ionWY8K8QXX9NNSC 8709NSC-8709EINECS 210-345-0N,N-Diethyl-4-toluidine4-Methyl-N,N-diethylbenzenamineDTXSID2060622N,N-DIETHYL-P-METHYLANILINEN,N-DIETHYL-4-METHYLBENZENAMINE
Show more names
diethyltoluidineTIMTEC-BB SBB008236NN- dimethyl o-toluene,N-DIETHYL-P-TOLUIDINE4-(DIETHYLAMINO)TOLUENEN,N-DIETHYL-P-TOLUIDINEvp-Toluidine, N,N-diethyl-N,N-Diethyl-4-methylaniline
4(Diethylamino)toluenepToluidine, N,NdiethylpMethylN,NdiethylanilineN,NDiethyl4methylanilineRefChem:161179N,NDiethylptoluidinium ionBenzenamine, N,Ndiethyl4methylpToluidine, N,Ndiethyl (8CI)
Database identifiers
- CAS
613-48-9- PubChem CID
- 69177
- DTXSID
DTXSID2060622- UNII
- WY8K8QXX9N
- EC Number
- 210-345-0
- Nikkaji
- J96.137J
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 110
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Amines, Aromatic
Physical DescriptionColorless liquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 46.25 °C · 46.25°C (estimate)
- Boiling point
- 103 °C · 103 °C (10 mmHg)
- Density
- 0.92 · 0.92
- refractive index
- 1.533 · 1.533-1.535
- Flash point
- 93 °C · 93 °C
- Water Solubility
- Practically insoluble in water
- form
- clear liquid
- pka
- 7.2 · 7.20±0.32(Predicted)
- color
- Light orange to Yellow to Green
- InChIKey
- HKJNHYJTVPWVGV-UHFFFAOYSA-N
- CAS DataBase Reference
- 613 · 613-48-9(CAS DataBase Reference)
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
H301 (32.3%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 303 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzenamine, N,N-diethyl-4-methyl-
Benzenamine, N,N-diethyl-4-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See N,N-Dimethyl-p-toluidine.
Hazard Classes and CategoriesAcute Tox. 3 (32.3%)
Safety data
- tsca
- TSCA listed
- ridadr
- 2810
- hs_code
- 29214990
- risk_code
- 36/38-20-36/37/38-23/24/25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
Chemistry & industry
Uses & manufacturing
UsesA component of blends used as retaining compounds for fasteners; [Jet-Lube MSDS]
General Manufacturing InformationBenzenamine, N,N-diethyl-4-methyl-: ACTIVE
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
4 records
Compound notes
Loading…