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

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Name

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

EINECS N/A
CAS No. 53786-10-0 Density 1.197 g/cm3
PSA 38.96000 LogP 1.59330
Solubility N/A Melting Point N/A
Formula C13H17N3O Boiling Point 356.094 °C at 760 mmHg
Molecular Weight 231.297 Flash Point 169.16 °C
Transport Information N/A Appearance Yellowish solid
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 53786-10-0 (4-(2-KETO-3-METHYL-1-BENZIMIDAZOLINYL)PIPERIDINE) Hazard Symbols N/A
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;

Article Data 6

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

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