4-Cyanobutanoic acid supplier

Name
4-Cyanobutyric acid
EINECS 200-258-5
CAS No. 39201-33-7
Article Data5
CAS DataBase
Density 1.141 g/cm³
Solubility
Melting Point 35 °C
Formula C₅H₇NO₂
Boiling Point 320.4 °C at 760 mmHg
Molecular Weight 113.116
Flash Point 147.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Cyanobutyric acid
PSA 61.09000
LogP 0.76488

4-Cyanobutanoic acid Specification

The 4-Cyanobutanoic acid, its CAS registry number is 39201-33-7. This chemical's molecular formula is C₅H₇NO₂ and molecular weight is 113.11. What's more, both its systematic name and IUPAC name are the same which is called 4-Cyanobutanoic acid.

Physical properties about the 4-Cyanobutanoic acid are: (1)ACD/LogP: -0.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.51; (4)ACD/LogD (pH 7.4): -3.32; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.14; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 50.09 Å²; (13)Index of Refraction: 1.451; (14)Molar Refractivity: 26.69 cm³; (15)Molar Volume: 99 cm³; (16)Surface Tension: 48.2 dyne/cm; (17)Density: 1.141 g/cm³; (18)Flash Point: 147.6 °C; (19)Enthalpy of Vaporization: 61.8 kJ/mol; (20)Boiling Point: 320.4 °C at 760 mmHg; (21)Vapour Pressure: 6.63E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES:N#CCCCC(=O)O
(2) InChI:InChI=1/C5H7NO2/c6-4-2-1-3-5(7)8/h1-3H2,(H,7,8)
(3) InChIKey:YXBVMSQDRLXPQV-UHFFFAOYAC

Product Name

4-Cyanobutyric acid

4-Cyanobutanoic acid Specification

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