The Borane-triethylamine complex, with the CAS registry number 1722-26-5 and EINECS registry number 217-022-3, has the systematic name of N,N-diethylethanamine - borane (1:1). It belongs to the following product categories: B (Classes of Boron Compounds); Boranes; Reduction; Synthetic Organic Chemistry. And the molecular formula of the chemical is C6H18BN.
The characteristics of Borane-triethylamine complex are as followings: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 3.24 Å2; (7)Boiling Point: 90.5 °C at 760 mmHg; (8)Vapour Pressure: 56.1 mmHg at 25°C.
You should be cautious while dealing with this chemical. It is a kind of highly flammable, and may cause burns. Therefore, you had better take the following instructions: Keep away from sources of ignition - No smoking; Take precautionary measures against static discharges; Wear suitable protective clothing, gloves and eye/face protection; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: B.N(CC)(CC)CC
(2)InChI: InChI=1/C6H15N.BH3/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;1H3
(3)InChIKey: KDKNBGWKECQREO-UHFFFAOYAR
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