Basic information
- CAS
14062-78-3- Standard SMILES
Cc1ccc(C(=O)N(C)C)cc1- InChIKey
ULKWBVNMJZUEBD-UHFFFAOYSA-N- Molecular formula
- C10H13NO
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.09971404
Names & identifiers
- Preferred name
- 4,N,N-Trimethylbenzamide
- IUPAC
- N,N,4-trimethylbenzamide
- English name
- Benzamide, N,N,4-trimethyl- (9CI)
- Molecular formula
- C10H13NO
- Molecular weight
- 163.22
Names & synonyms
4,N,N-TRIMETHYLBENZAMIDERefChem:508412661-940-0N,N,4-trimethylbenzamide14062-78-3Benzamide, N,N,4-trimethyl-Benzamide, N,N,4-trimethyl- (9CI)N,N,4-Trimethyl benzamideBenzamide,N,N,4-trimethyl-NSC21752AI3-30330N,N-dimethyl-p-toluamide
Show more names
N,N-DiMethyl-4-MethylbenzaMide, 97%
4,N,N-Trimethyl-benzamideSCHEMBL40709SCHEMBL469413N,N-Dimethyl-4-methylbenzamideDTXSID00161448MFCD00157858NSC 21752NSC-21752
Database identifiers
- CAS
14062-78-3- PubChem CID
- 84179
- DTXSID
DTXSID00161448- EC Number
- 661-940-0
- Nikkaji
- J419.205B
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 157
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP1.72
Physicochemical properties
- Melting point
- 41 °C · 41°C
- Boiling point
- 290.31 °C · 290.31°C (rough estimate)
- Density
- 1.0508 · 1.0508 (rough estimate)
- refractive index
- 1.54 · 1.5400 (estimate)
- pka
- -0.93 · -0.93±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers16 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
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山东利腾生物科技有限公司15020019777 18663721413 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
烟台博运生物科技有限公司13793517650 13793517650 · [email protected]
郑州艾克姆化工有限公司0371-63315541 13323832564 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
4 records
Compound notes
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