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CAS No.: | 15029-30-8 |
---|---|
Name: | 1-CYANOACETYLPIPERIDINE |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C8H12N2O |
Molecular Weight: | 152.196 |
Synonyms: | 1-Piperidinepropionitrile,b-oxo- (5CI);Piperidine,1-(cyanoacetyl)- (6CI,8CI,9CI);1-(Cyanoacetyl)piperidine;Cyanoacetic acidpiperidide;Cyanoacetopiperidide;NSC 102772;Piperidinocarbonylacetonitrile; |
EINECS: | 239-111-6 |
Density: | 1.097 g/cm3 |
Melting Point: | 88-91 °C(lit.) |
Boiling Point: | 325.9 °C at 760 mmHg |
Flash Point: | 150.9 °C |
Appearance: | orange needle-like crystalline powder |
Hazard Symbols: | Xn,Xi |
Risk Codes: | 20/21/22-36/37 |
Safety: | 26-27-36/37/39 |
PSA: | 44.10000 |
LogP: | 0.85048 |
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The 1-Piperidinepropanenitrile,β-oxo-, with the CAS registry number 15029-30-8, is also known as Piperidine, 1- (cyanoacetyl)-. Its EINECS registry number is 239-111-6. This chemical's molecular formula is C8H12N2O and molecular weight is 152.19368. Its IUPAC name is called 3-oxo-3-piperidin-1-ylpropanenitrile. The product should be sealed and stored in dry and well-ventilated place. This chemical is orange needle-like crystalline powder.
Physical properties of 1-Piperidinepropanenitrile,β-oxo-: (1)ACD/LogP: 0.21; (2)ACD/LogD (pH 5.5): -0.57; (3)ACD/LogD (pH 7.4): -2.05; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.12; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.494; (11)Molar Refractivity: 40.37 cm3; (12)Molar Volume: 138.6 cm3; (13)Surface Tension: 46.3 dyne/cm; (14)Density: 1.097 g/cm3; (15)Flash Point: 150.9 °C; (16)Enthalpy of Vaporization: 56.81 kJ/mol; (17)Boiling Point: 325.9 °C at 760 mmHg; (18)Vapour Pressure: 0.000223 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCN(CC1)C(=O)CC#N
(2)InChI: InChI=1S/C8H12N2O/c9-5-4-8(11)10-6-2-1-3-7-10/h1-4,6-7H2
(3)InChIKey: ANLQHFYDQPMDJY-UHFFFAOYSA-N