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| CAS No.: | 6852-58-0 |
|---|---|
| Name: | 2-METHYL-N-(PHENYLMETHYLENE)-2-PROPYLAMINE |
| Article Data: | 142 |
| Molecular Structure: | |
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| Formula: | C11H15N |
| Molecular Weight: | 161.247 |
| Synonyms: | Ethylamine,N-benzylidene-1,1-dimethyl- (6CI,7CI,8CI);2-Methyl-N-(phenylmethylene)-2-propanamine;Benzaldehyde tert-butylimine;Benzylidene-tert-butylamine;N-Benzylidene tert-butylamine;N-Benzylidene-1,1-dimethylethylamine;N-Benzylidene-N-tert-butylamine;N-Benzylidene-N-tert-butylimine;N-Benzylidene-tert-butylamine;N-t-Butylbenzylideneimine;N-tert-Butylbenzylideneamine;N-tert-Butylbenzylimine; |
| Density: | 0.85 g/cm3 |
| Melting Point: | -30 ºC |
| Boiling Point: | 231.8 °C at 760 mmHg |
| Flash Point: | 85.6 °C |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | 22-36/37/38-40-42/43 |
| Safety: | 26-36 |
| PSA: | 12.36000 |
| LogP: | 2.90400 |
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Specification
The 2-Propanamine,2-methyl-N-(phenylmethylene)-, with the CAS registry number 6852-58-0, is also known as 2-Methyl-N-(phenylmethylene)-2-propanamine. It belongs to the product categories of Imines/Amidines; Nitrogen Compounds; Organic Building Blocks. This chemical's molecular formula is C11H15N and formula weight is 161.24. What's more, its IUPAC name is N-tert-butyl-1-phenylmethanimine.
Physical properties of 2-Propanamine,2-methyl-N-(phenylmethylene)- are: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.06; (4)ACD/LogD (pH 7.4): 2.84; (5)ACD/BCF (pH 5.5): 13.95; (6)ACD/BCF (pH 7.4): 83.14; (7)ACD/KOC (pH 5.5): 135.53; (8)ACD/KOC (pH 7.4): 807.73; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.36 Å2; (13)Index of Refraction: 1.481; (14)Molar Refractivity: 53.72 cm3; (15)Molar Volume: 188.5 cm3; (16)Surface Tension: 28.7 dyne/cm; (17)Density: 0.85 g/cm3; (18)Flash Point: 85.6 °C; (19)Enthalpy of Vaporization: 44.94 kJ/mol; (20)Boiling Point: 231.8 °C at 760 mmHg; (21)Vapour Pressure: 0.0929 mmHg at 25°C.
Preparation: this chemical can be prepared by tert-butylamine, benzaldehyde by heating. This reaction will need solvent benzene with the reaction time of 10 hours. The yield is about 60%.
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Uses of 2-Propanamine,2-methyl-N-(phenylmethylene)-: it can be used to produce 2-tert-butyl-3-phenyl-oxaziridine at the temperature of 20°C. It will need reagent H2O2, NaHCO3, PhCN and solvent methanol with the reaction time of 48 hours. The yield is about 90%.
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When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and is irritating to eyes, respiratory system and skin. It may cause sensitisation by inhalation and skin contact. In case of contact with eyes, you need rinse immediately with plenty of water and seek medical advice. It has a limited evidence of a carcinogenic effect. When using it, you should wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)N=CC1=CC=CC=C1
(2)InChI: InChI=1S/C11H15N/c1-11(2,3)12-9-10-7-5-4-6-8-10/h4-9H,1-3H3
(3)InChIKey: KFLSWDVYGSSZRX-UHFFFAOYSA-N