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2977-24-4

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Basic Information
CAS No.: 2977-24-4
Name: α-Phenyl-α-(2-piperidinoethyl)-1-piperidinebutyramide
Molecular Structure:
Molecular Structure of 2977-24-4 (α-Phenyl-α-(2-piperidinoethyl)-1-piperidinebutyramide)
Formula: C22H35N3O
Molecular Weight: 357.539
Synonyms: 1-Piperidinebutyramide,a-phenyl-a-(2-piperidinoethyl)- (7CI,8CI);
Density: 1.06 g/cm3
Melting Point: 116.5-117.5 °C
Boiling Point: 549.5 °C at 760 mmHg
Flash Point: 286.1 °C
PSA: 50.56000
LogP: 4.18720
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  • 1-Piperidinebutanamide,α-phenyl-α-[2-(1-piperidinyl)ethyl]-

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    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, s

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  • 1-Piperidinebutanamide,α-phenyl-α-[2-(1-piperidinyl)ethyl]-

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  • 1-Piperidinebutanamide,α-phenyl-α-[2-(1-piperidinyl)ethyl]-

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    1-Piperidinebutanamide,α-phenyl-α-[2-(1-piperidinyl)ethyl]-

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    factory?direct?sale Application:Fine chemical intermediates, used as the main raw material for the synthesis of various pesticides, medicines, surfactants, polymer monomers, and antifungal agents

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Specification

The 1-Piperidinebutanamide,α-phenyl-α-[2-(1-piperidinyl)ethyl]-, with the CAS registry number 2977-24-4, is also known as alpha,alpha-Bis(2-piperidinoethyl)phenylacetamide. This chemical's molecular formula is C22H35N3O and molecular weight is 357.5328. Its IUPAC name is called 2-phenyl-4-piperidin-1-yl-2-(2-piperidin-1-ylethyl)butanamide. This chemical's classification code is Drug / Therapeutic Agent.

Physical properties of 1-Piperidinebutanamide,α-phenyl-α-[2-(1-piperidinyl)ethyl]-: (1)ACD/LogP: 3.19; (2)ACD/LogD (pH 5.5): -0.91; (3)ACD/LogD (pH 7.4): -0.35; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 8; (11)Index of Refraction: 1.546; (12)Molar Refractivity: 106.74 cm3; (13)Molar Volume: 337 cm3; (14)Surface Tension: 44.3 dyne/cm; (15)Density: 1.06 g/cm3; (16)Flash Point: 286.1 °C; (17)Enthalpy of Vaporization: 82.93 kJ/mol; (18)Boiling Point: 549.5 °C at 760 mmHg; (19)Vapour Pressure: 4.01E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCN(CC1)CCC(CCN2CCCCC2)(C3=CC=CC=C3)C(=O)N
(2)InChI: InChI=1S/C22H35N3O/c23-21(26)22(20-10-4-1-5-11-20,12-18-24-14-6-2-7-15-24)13-19-25-16-8-3-9-17-25/h1,4-5,10-11H,2-3,6-9,12-19H2,(H2,23,26)
(3)InChIKey: TXSYVXMEIWQHCF-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 120mg/kg (120mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)		 Journal of Medicinal Chemistry. Vol. 8, Pg. 594, 1965.