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CAS No.: | 585-32-0 |
---|---|
Name: | CUMYLAMINE |
Article Data: | 40 |
Molecular Structure: | |
Formula: | C9H13N |
Molecular Weight: | 135.209 |
Synonyms: | Benzylamine,a,a-dimethyl- (8CI);(2-Phenyl-2-propyl)amine;1-Methyl-1-phenylethylamine;1-Phenylisopropylamine;2-Amino-2-phenylpropane;2-Phenyl-2-propanamine;Cumylamine;NSC 66156;a,a-Dimethylbenzenemethanamine;a,a-Dimethylbenzylamine; |
Density: | 0.944 g/cm3 |
Melting Point: | 116°C (estimate) |
Boiling Point: | 196.499 °C at 760 mmHg |
Flash Point: | 84.05 °C |
Solubility: | Insoluble in water. |
Appearance: | Liquid. (Clear, colorless ~ yellow.) |
Hazard Symbols: | T |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
Transport Information: | UN2735 |
PSA: | 26.02000 |
LogP: | 2.58070 |
cumyl azide
2-phenyl-2-propylamine
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride In diethyl ether at 0 - 20℃; for 18h; | 95% |
With hydrogen In ethanol for 12h; | 94% |
With lithium aluminium tetrahydride In diethyl ether 1.) 12 h, 2.) reflux, 1 h; | 68% |
Conditions | Yield |
---|---|
With cerium(III) chloride | 90% |
N-(1-methyl-1phenylethyl)acetamide
2-phenyl-2-propylamine
Conditions | Yield |
---|---|
With ammonium bromide; ethylenediamine at 100℃; for 10h; Microwave irradiation; | 88% |
Conditions | Yield |
---|---|
at -78 - 0℃; for 2h; 5.0 equival. MeCeCl2; | A n/a B 73% |
Conditions | Yield |
---|---|
With hydrogenchloride In water 70-80 deg C, 0.5 h; reflux, 0.5 h; | 72% |
dichloromethylcerium
benzenecarbothioamide
A
benzonitrile
B
2-phenyl-2-propylamine
Conditions | Yield |
---|---|
at -78 - 0℃; for 2h; 5.0 equival. MeCeCl2; | A n/a B 68% |
Conditions | Yield |
---|---|
With ammonia | 53% |
With ammonia |
Conditions | Yield |
---|---|
With titanium(IV) isopropylate In diethyl ether for 10h; Heating; | 44% |
Conditions | Yield |
---|---|
With bromine | |
With alkaline aqueous sodium hypobromite |
Conditions | Yield |
---|---|
With potassium cyanide; sulfuric acid In dibutyl ether at 60 - 80℃; | |
Multi-step reaction with 2 steps 1: 95 percent / LiAlH4 / diethyl ether / 18 h / 0 - 20 °C View Scheme | |
Multi-step reaction with 2 steps 1: NaN3; TFA / CHCl3 / 12 h / 20 °C 2: 19.8 g / H2 / Lindlar's catalyst / ethanol / 12 h View Scheme |
This chemical is called 2-Phenylpropan-2-amine, and it can also be named as (Phenylisopropyl)amine. With the molecular formula of C9H13N, its molecular weight is 135.21. The CAS registry number of this chemical is 585-32-0.
Other characteristics of the 2-Phenylpropan-2-amine can be summarised as followings: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.192; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 3.966; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.02 Å2; (12)Index of Refraction: 1.52; (13)Molar Refractivity: 43.542 cm3; (14)Molar Volume: 143.292 cm3; (15)Polarizability: 17.262×10-24cm3; (16)Surface Tension: 33.434 dyne/cm; (17)Density: 0.944 g/cm3; (18)Flash Point: 84.05 °C; (19)Enthalpy of Vaporization: 43.27 kJ/mol; (20)Boiling Point: 196.499 °C at 760 mmHg; (21)Vapour Pressure: 0.397 mmHg at 25°C.
Production method of this chemical: The 2-Phenylpropan-2-amine could be obtained by the reactant of 2-azido-2-phenylpropane. This reaction needs the reagent of LiAlH4, and the solvent of diethyl ether. The other condition is heating.
Uses of this chemical: The (a-nitro-isopropyl)-benzene could be obtained by the reactant of 2-Phenylpropan-2-amine. This reaction needs the reagent of KMnO4.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: CC(C)(c1ccccc1)N
2.InChI: InChI=1/C9H13N/c1-9(2,10)8-6-4-3-5-7-8/h3-7H,10H2,1-2H3
3.InChIKey: KDFDOINBXBEOLZ-UHFFFAOYAK