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2-Phenylpropan-2-amine

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Name

2-Phenylpropan-2-amine

EINECS N/A
CAS No. 585-32-0 Density 0.944 g/cm3
PSA 26.02000 LogP 2.58070
Solubility Insoluble in water. Melting Point 116°C (estimate)
Formula C9H13N Boiling Point 196.499 °C at 760 mmHg
Molecular Weight 135.209 Flash Point 84.05 °C
Transport Information UN2735 Appearance Liquid. (Clear, colorless ~ yellow.)
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 585-32-0 (CUMYLAMINE) Hazard Symbols T
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;

Article Data 40

2-Phenylpropan-2-amine Synthetic route

32366-26-0

cumyl azide

585-32-0

2-phenyl-2-propylamine

Conditions
ConditionsYield
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%
917-54-4

methyllithium

100-47-0

benzonitrile

585-32-0

2-phenyl-2-propylamine

Conditions
ConditionsYield
With cerium(III) chloride90%
79649-68-6

N-(1-methyl-1phenylethyl)acetamide

585-32-0

2-phenyl-2-propylamine

Conditions
ConditionsYield
With ammonium bromide; ethylenediamine at 100℃; for 10h; Microwave irradiation;88%
94616-84-9

dichloromethylcerium

55-21-0

benzamide

A

100-47-0

benzonitrile

B

585-32-0

2-phenyl-2-propylamine

Conditions
ConditionsYield
at -78 - 0℃; for 2h; 5.0 equival. MeCeCl2;A n/a
B 73%
4747-74-4

α,α-dimethylbenzyl isocyanate

585-32-0

2-phenyl-2-propylamine

Conditions
ConditionsYield
With hydrogenchloride In water 70-80 deg C, 0.5 h; reflux, 0.5 h;72%
94616-84-9

dichloromethylcerium

2227-79-4

benzenecarbothioamide

A

100-47-0

benzonitrile

B

585-32-0

2-phenyl-2-propylamine

Conditions
ConditionsYield
at -78 - 0℃; for 2h; 5.0 equival. MeCeCl2;A n/a
B 68%
3575-19-7

2-bromo-2-phenylpropane

585-32-0

2-phenyl-2-propylamine

Conditions
ConditionsYield
With ammonia53%
With ammonia
676-58-4

methylmagnesium chloride

100-47-0

benzonitrile

585-32-0

2-phenyl-2-propylamine

Conditions
ConditionsYield
With titanium(IV) isopropylate In diethyl ether for 10h; Heating;44%
826-54-0

2-methyl-2-phenyl-propanamide

585-32-0

2-phenyl-2-propylamine

Conditions
ConditionsYield
With bromine
With alkaline aqueous sodium hypobromite
617-94-7

1-methyl-1-phenylethyl alcohol

585-32-0

2-phenyl-2-propylamine

Conditions
ConditionsYield
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

2-Phenylpropan-2-amine Specification

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

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