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CAS No.: | 5882-44-0 |
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Name: | N,N-DIMETHYLANILINE HYDROCHLORIDE |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C8H12ClN |
Molecular Weight: | 157.643 |
Synonyms: | Aniline,N,N-dimethyl-, hydrochloride (8CI);Benzenamine, N,N-dimethyl-, hydrochloride(9CI);Dimethylaniline hydrochloride;Dimethylphenylammonium chloride;N,N-Dimethylaniline hydrochloride;N,N-Dimethylanilinium hydrochloride; |
EINECS: | 227-555-3 |
Density: | 0.95 g/cm3 |
Melting Point: | 90°C |
Boiling Point: | 193.5 °C at 760 mmHg |
Flash Point: | 62.8 °C |
PSA: | 74.08000 |
LogP: | 1.83890 |
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The Benzenamine,N,N-dimethyl-, hydrochloride (1:1), with the CAS registry number 5882-44-0, is also known as Dimethylaniline hydrochloride. Its EINECS number is 227-555-3. This chemical's molecular formula is C8H12ClN and molecular weight is 157.64. What's more, its systematic name is N,N-dimethylaniline hydrochloride (1:1).
Physical properties of Benzenamine,N,N-dimethyl-, hydrochloride (1:1) are: (1)ACD/LogP: 2.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.18; (4)ACD/LogD (pH 7.4): 2.33; (5)ACD/BCF (pH 5.5): 24.77; (6)ACD/BCF (pH 7.4): 34.41; (7)ACD/KOC (pH 5.5): 314.86; (8)ACD/KOC (pH 7.4): 437.47; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Flash Point: 62.8 °C; (14)Enthalpy of Vaporization: 42.97 kJ/mol; (15)Boiling Point: 193.5 °C at 760 mmHg; (16)Vapour Pressure: 0.462 mmHg at 25°C.
Uses of Benzenamine,N,N-dimethyl-, hydrochloride (1:1): it can be used to produce N,N-dimethylanilinium {tetrakis[4-(trifluoromethyl)-2,3,5,6-tetrafluorophenyl]borate} at the temperature of 20 °C. It will need reagent H2O. The yield is about 86%.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.N(c1ccccc1)(C)C
(2)InChI: InChI=1S/C8H11N.ClH/c1-9(2)8-6-4-3-5-7-8;/h3-7H,1-2H3;1H
(3)InChIKey: WOAZEKPXTXCPFZ-UHFFFAOYSA-N