1-Butanol, sodium salt(1:1) (2372-45-4)

The IUPAC name of this chemical is sodium butan-1-olate. With the CAS registry number 2372-45-4, it is also named as 1-Butanol, sodium salt. It is used as pharmaceutical intermediate. Additionally, it is flammable, so people should keep it away from sources of ignition. And this chemical must be sealed in the container and avoided direct sunshine.

The other characteristics of Sodium butanolate can be summarized as: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.88; (4)ACD/LogD (pH 7.4): 0.88; (5)ACD/BCF (pH 5.5): 2.72; (6)ACD/BCF (pH 7.4): 2.72; (7)ACD/KOC (pH 5.5): 71.3; (8)ACD/KOC (pH 7.4): 71.3; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Flash Point: 35 °C; (13)Enthalpy of Vaporization: 43.29 kJ/mol; (14)Boiling Point: 117.7 °C at 760 mmHg; (15)Vapour Pressure: 8.52 mmHg at 25°C; (16)Rotatable Bond Count: 2; (17)Exact Mass: 96.05511; (18)MonoIsotopic Mass: 96.05511; (19)Topological Polar Surface Area: 23.1; (20)Heavy Atom Count: 6; (21)Complexity: 17.

When you are using this chemical, please be cautious about it as the following:
 It is harmful if swallowed and can causes burns. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
1. SMILES:[Na+].[O-]CCCC
2. InChI:InChI=1/C4H9O.Na/c1-2-3-4-5;/h2-4H2,1H3;/q-1;+1
3. InChIKey:SYXYWTXQFUUWLP-UHFFFAOYAD