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| CAS No.: | 103-83-3 |
|---|---|
| Name: | N,N-Dimethylbenzylamine |
| Molecular Structure: | |
|
|
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| Formula: | C9H13N |
| Molecular Weight: | 135.209 |
| Synonyms: | Benzylamine,N,N-dimethyl- (8CI);Ancamine BDMA;Benzyl-N,N-dimethylamine;Benzyldimethylamine;Dimethylbenzylamine;N,N-Dimethyl-N-benzylamine;N,N-Dimethylbenzenemethanamine;N-(Phenylmethyl)dimethylamine;N-Benzyl-N,N-dimethylamine;N-Benzyldimethylamine;NSC 5342;Sumicure BD;[(Dimethylamino)methyl]benzene;N,N-Dimethylbenzylamine（BDMA); |
| EINECS: | 203-149-1 |
| Density: | 0.9 g/mL at 25 °C(lit.) |
| Melting Point: | -75 °C |
| Boiling Point: | 181 °C at 760 mmHg |
| Flash Point: | 130 °F |
| Solubility: | 8 g/L (25 °C) in water |
| Appearance: | Colourless to light yellow liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 10-20/21/22-34-52/53 |
| Safety: | 26-36-45-61 |
| Transport Information: | UN 2619 8/PG 2 |
| PSA: | 3.24000 |
| LogP: | 1.74820 |
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Consensus Reports
Reported in EPA TSCA Inventory.
Standards and Recommendations
DOT Classification: 8; Label: Corrosive
Specification
1. Introduction of N,N-Dimethylbenzylamine
The N,N-Dimethylbenzylamine with CAS registry number of 103-83-3 is also known as Benzyl-N,N-dimethylamine. The IUPAC name is N,N-Dimethyl-1-phenylmethanamine. It belongs to product categories of Anilines, Aromatic Amines and Nitro Compounds; Organics. Its EINECS registry number is 203-149-1. In addition, the formula is C9H13N and the molecular weight is 135.23. This chemical is a colourless to light yellow liquid with an amine odour that slightly soluble in water. It may destroy living tissue on contact and should be sealed in ventilated, cool room away from fire and heat. What's more, this chemical is used as organic synthesis intermediate and also used as dehydrogenation catalysts, preservatives, acid neutralizer and so on.
2. Properties of N,N-Dimethylbenzylamine
(1)ACD/LogP: 1.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.91; (4)ACD/LogD (pH 7.4): 0.57; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 11.11; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.516; (12)Molar Refractivity: 44.15 cm3; (13)Molar Volume: 146 cm3; (14)Surface Tension: 32.7 dyne/cm; (15)Density: 0.926 g/cm3; (16)Flash Point: 54.4 °C; (17)Enthalpy of Vaporization: 41.73 kJ/mol; (18)Boiling Point: 181 °C at 760 mmHg; (19)Vapour Pressure: 0.871 mmHg at 25 °C.
3. Structure Descriptors of N,N-Dimethylbenzylamine
1. Canonical SMILES: CN(C)CC1=CC=CC=C1
2. InChI: InChI=1S/C9H13N/c1-10(2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
3. InChIKey: XXBDWLFCJWSEKW-UHFFFAOYSA-N
4. Toxicity of N,N-Dimethylbenzylamine
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LCLo | inhalation | 1200mg/m3/2H (1200mg/m3) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 5, Pg. 6, 1963. |
| rabbit | LD50 | skin | 1660mg/kg (1660mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: EXCITEMENT | Drug and Chemical Toxicology. Vol. 8, Pg. 43, 1985. |
| rat | LCLo | inhalation | 1200mg/m3/2H (1200mg/m3) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 5, Pg. 6, 1963. |
| rat | LD50 | oral | 265mg/kg (265mg/kg) | Personal Communication from C.J. Korpics, Sherwin-Williams Chemicals, 1310 Expressway Drive, Toledo, OH 43608, Aug. 22, 1974Vol. 22AUG1974, |
5. Safety Information of N,N-Dimethylbenzylamine
When you are using this chemical, please be cautious about it. As a chemical, it is not only harmful by inhalation, in contact with skin and if swallowed, but also harmful to aquatic organisms that may cause long-term adverse effects in the aquatic environment. This chemical is flammable and may cause burns. During using it, wear suitable protective clothing. Avoid release to the environment.. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately.
6. Preparation of N,N-Dimethylbenzylamine
N,N-Dimethylbenzylamine is prepared by reaction of benzyl with dimethylamine. Firstly, dimethylamine is added into reactor and mixed with benzyl chloride under stirring at the temperature of 25 °C for 1 hour. Then the reaction mixture is heated to 55-60 °C for 6 hours. After reaction, liquid caustic soda is added and oil reservoir is washed with hot water. At last, product is obtained by collecting distillate at 67-72 °C (1.87 kPa).
7. Use of N,N-Dimethylbenzylamine
N,N-Dimethylbenzylamine is used to produce 2-trimethylsilylbenzyldimethylamin by reaction with chloro-trimethyl-silane. The reaction occurs with reagent BuLi and solvent diethyl ether at the temperature of -20 °C for 12 hours. The yield is about 35%.
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