Basic information
- CAS
767-71-5- Standard SMILES
CNc1c(C)cccc1C- InChIKey
NLGKRVNANIZGNI-UHFFFAOYSA-N- Molecular formula
- C9H13N
- Average molar mass
- 135.21 g/mol
- Monoisotopic mass
- 135.10479942
Names & identifiers
- Preferred name
- N,2,6-trimethylaniline
- IUPAC
- N,2,6-trimethylaniline
- English name
- N,2,6-trimethylaniline
- Molecular formula
- C9H13N
- Molecular weight
- 135.21
Names & synonyms
N,2,6-trimethylaniline767-71-5N,2,6-Trimethylbenzenaminebenzenamine, N,2,6-trimethyl-DTXSID70227500NSC 42981RefChem:821469DTXCID30149991800-160-9InChI=1/C9H13N/c1-7-5-4-6-8(2)9(7)10-3/h4-6,10H,1-3HMFCD00613418Benzenamine,N,2,6-trimethyl-
Show more names
(2,6-dimethylphenyl)-methyl-amine
aniline, N,2,6-trimethyl-(2,6-dimethylphenyl)methylamineN-methyl-2,6-dimethylanilineNSC42981N26-TrimethylanilineN-methyl-2,6-xylidineSCHEMBL1006539SCHEMBL2093321
Database identifiers
- CAS
767-71-5- PubChem CID
- 136604
- DTXSID
DTXSID70227500- EC Number
- 800-160-9
- Nikkaji
- J833.943K
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 90.9
Physicochemical properties
- Boiling point
- 206 °C · 206 °C
- Density
- 0.955 · 0.955±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 4.6 · 4.60±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
- Precautionary statements
- 260 · P260-P280
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2921490090 · 2921490090
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2921490090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302+H312+H332
- Precautionary statements
- P260-P280
Chemistry & industry
Suppliers18 total
陕西格列弗生物科技研究有限责任公司18409274651; 13892423764 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
北京伊万景瑞生物科技有限公司15866847540 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
济南荣科药业有限公司18615606162 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
长沙福臻生物科技有限公司15111215862 18229892877 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
Related reactions
6 records
Compound notes
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