4-(2-Keto-3-methyl-1-benzimidazolinyl)piperidine supplier

Name
4-(2-KETO-3-METHYL-1-BENZIMIDAZOLINYL)PIPERIDINE
EINECS
CAS No. 53786-10-0
Article Data6
CAS DataBase
Density 1.197 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₇N₃O
Boiling Point 356.094 °C at 760 mmHg
Molecular Weight 231.297
Flash Point 169.16 °C
Transport Information
Appearance Yellowish solid
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms 2-Benzimidazolinone,1-methyl-3-(4-piperidyl)- (7CI);1-Methyl-3-(piperidin-4-yl)-1,3-dihydro-2H-benzimidazol-2-one;1-Methyl-3-piperidin-4-yl-1,3-dihydrobenzimidazol-2-one;3-Methyl-1-(4-piperidinyl)-1,3-dihydro-2H-benzimidazole-2-one;
PSA 38.96000
LogP 1.59330

4-(2-Keto-3-methyl-1-benzimidazolinyl)piperidine Specification

The 4-(2-Keto-3-methyl-1-benzimidazolinyl)piperidine with the cas number 53786-10-0 is also called 2H-Benzimidazol-2-one,1,3-dihydro-1-methyl-3-(4-piperidinyl)-. The IUPAC name is 1-methyl-3-piperidin-4-ylbenzimidazol-2-one. Its molecular formula is C₁₃H₁₇N₃O. This chemical is yellowish solid.

The properties of the chemical are: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 35.58 Å²; (11)Index of Refraction: 1.594; (12)Molar Refractivity: 65.625 cm³; (13)Molar Volume: 193.276 cm³; (14)Polarizability: 26.016 ×10^-24cm³; (15)Surface Tension: 47.488 dyne/cm; (16)Enthalpy of Vaporization: 60.131 kJ/mol; (17)Vapour Pressure: 0 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: CN2C(=O)N(C1CCNCC1)c3ccccc23
(2)InChI: InChI=1/C13H17N3O/c1-15-11-4-2-3-5-12(11)16(13(15)17)10-6-8-14-9-7-10/h2-5,10,14H,6-9H2,1H3
(3)InChIKey: VEWTUUDVRSEVLC-UHFFFAOYAK

Product Name

4-(2-KETO-3-METHYL-1-BENZIMIDAZOLINYL)PIPERIDINE

4-(2-Keto-3-methyl-1-benzimidazolinyl)piperidine Specification

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