Basic information
- Name:
Benzenemethanamine,N-(1,1-dimethylethyl)-
- Superlist Name:
- N-(tert-Butyl)benzylamine
- CAS No.:
3378-72-1
- Molecular Structure:
- Formula:
- C11H17N
- Molecular Weight:
- 163.26
- Synonyms:
- Benzylamine,N-tert-butyl- (6CI,7CI,8CI);Benzyl-tert-butylamine;N-(1,1-Dimethylethyl)benzenemethanamine;N-(tert-Butyl)benzenemethanamine;N-Benzyl-2-methylpropan-2-amine;N-Benzyl-N-tert-butylamine;N-Benzyl-tert-butylamine;N-tert-Butyl-N-benzylamine;N-tert-Butylbenzylamine;tert-Butylbenzylamine;N-(1,1-dimethylethyl)benzylamine;N-Benzyl-2-methylpropan-2-amine;Tert-butyl-benzylamine;
- EINECS:
- 222-179-6
- Density:
- 0.903 g/cm3
- Melting Point:
- -25 °C
- Boiling Point:
- 220.5 °C at 760 mmHg
- Flash Point:
- 80 °C
- Solubility:
- 2 g/L (20 °C ) in water
- Appearance:
- Colorless transparent liquid
- Hazard Symbols:
C; 
Xi- Risk Codes:
- 34-22-36/37/38
- Safety Description:
- 23-24/25-36-26 Details
- Transport Information:
- UN 2735
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Specification
The Benzenemethanamine,N-(1,1-dimethylethyl)-, with the CAS registry number 3378-72-1 and EINECS registry number 222-179-6, has the systematic name of N-benzyl-2-methylpropan-2-amine. And the molecular formula of this chemical is C11H17N. It is a kind of clear colourless to pale yellow liquid, and it is also air sensitive.
The physical properties of Benzenemethanamine,N-(1,1-dimethylethyl)- are as following: (1)ACD/LogP: 2.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.32; (4)ACD/LogD (pH 7.4): 0.45; (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): 3.72; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.501; (14)Molar Refractivity: 53.26 cm3; (15)Molar Volume: 180.6 cm3; (16)Polarizability: 21.11×10-24cm3; (17)Surface Tension: 31 dyne/cm; (18)Density: 0.903 g/cm3; (19)Flash Point: 80 °C; (20)nthalpy of Vaporization: 45.69 kJ/mol; (21)Boiling Point: 220.5 °C at 760 mmHg; (22)Vapour Pressure: 0.113 mmHg at 25°C.
Preparation of Benzenemethanamine,N-(1,1-dimethylethyl)-: This chemical can be prepared by benzaldehyde and tert-butylamine. The reaction will need reagents sodium triacetoxyborohydride and AcOH, and the solvent 1,2-dichloro-ethane. The reaction time is 3 hour with ambient temperature, and the yield is about 95%.
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Uses of Benzenemethanamine,N-(1,1-dimethylethyl)-: It can react with 5-methoxymethylene-2,2-dimethyl-[1,3]dioxane-4,6-dione to produce 5-[(benzyl-tert-butyl-amino)-methylene]-2,2-dimethyl-[1,3]dioxane-4,6-dione. And the yield is about 99%.
![Benzenemethanamine,N-(1,1-dimethylethyl)- can react with 5-methoxymethylene-2,2-dimethyl-[1,3]dioxane-4,6-dione to produce 5-[(benzyl-tert-butyl-amino)-methylene]-2,2-dimethyl-[1,3]dioxane-4,6-dione](/UserFilesUpload/Uses of Benzenemethanamine,N-(1,1-dimethylethyl)-.jpg)
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and may cause burns. It is also harmful if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer); Avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: N(C(C)(C)C)Cc1ccccc1
(2)InChI: InChI=1/C11H17N/c1-11(2,3)12-9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3
(3)InChIKey: DLSOILHAKCBARI-UHFFFAOYAB
