Basic information
- CAS
2909-79-7- Standard SMILES
CN(C)c1ccc(C(C)(C)C)cc1- InChIKey
SJDILFZCXQHCRB-UHFFFAOYSA-N- Molecular formula
- C12H19N
- Average molar mass
- 177.29 g/mol
- Monoisotopic mass
- 177.15174961
Overview
RN given refers to parent ion
Names & identifiers
- Preferred name
- 4-(1,1-Dimethylethyl)-N,N-dimethylbenzenamine
- IUPAC
- 4-tert-butyl-N,N-dimethylaniline
- English name
- 4-TERT-BUTYL-N,N-DIMETHYLANILINE
- Molecular formula
- C12H19N
- Molecular weight
- 177.29
Names & synonyms
2909-79-7N,N-Dimethyl-4-t-butylanilineDTXSID901833364-(1,1-Dimethylethyl)-N,N-dimethylbenzenamineBenzeneamine, 4-(1,1-dimethylethyl)-N,N-dimethyl-N,N-DMPTBARefChem:822492n,n-dimethyl-p-t-butylanilineDTXCID00105827220-824-64-tert-Butyl-N,N-dimethylaniline4-(tert-Butyl)-N,N-dimethylaniline
Show more names
N-[4-(tert-Butyl)phenyl]dimethylamine4-tert-butyl-N,N-dimethylbenzeneamine4-(tert-Butyl)-N,N-dimethylaniline 98%
p-tert-Butyl-N,N-dimethylanilineBenzenamine, 4-(1,1-dimethylethyl)-N,N-dimethyl-MFCD00008833p-t-Butyl-N,N-dimethylanilineEINECS 220-824-6SCHEMBL15494N,N-Dimethyl-4-t-butylbenzeneaminePS-11480
Database identifiers
- CAS
2909-79-7- PubChem CID
- 76199
- DTXSID
DTXSID90183336- UNII
- DQG5QMK2L7
- EC Number
- 220-824-6
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 147
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- -45 °C · -45°C (estimate)
- Boiling point
- 250 · 250-253 °C (lit.)
- Density
- 0.906 g/mL · 0.906 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.529(lit.)
- Flash point
- 229 °F · 229 °F
- storage temp.
- 2 · 2-8°C, protect from light
- form
- liquid
- pka
- 5.51 · 5.51±0.12(Predicted)
- color
- Clear, light lemon/khaki to faint brown
- InChI
- 1S/C12H19N/c1-12(2,3)10-6-8-11(9-7-10)13(4)5/h6-9H,1-5H3
- InChIKey
- SJDILFZCXQHCRB-UHFFFAOYSA-N
- SMILES
- CN(C)c1ccc(cc1)C(C)(C)C
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
This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.
Warning
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 2921490090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemistry & industry
Applications
Uses4-tert-Butyl-N,N-dimethylaniline was employed as amine initiator during free-radical/cationic hybrid photopolymerizations of acrylates and epoxides.
General DescriptionPotassium iodide catalyzed oxidative coupling of tert-butyl-N,N-dimethylaniline with indole has been investigated. It is an efficient polymerization accelerator.
Suppliers38 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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