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

Name
α-Phenyl-α-(2-piperidinoethyl)-1-piperidinebutyramide
EINECS
CAS No. 2977-24-4
Density 1.06 g/cm³
Solubility
Melting Point 116.5-117.5 °C
Formula C₂₂H₃₅N₃O
Boiling Point 549.5 °C at 760 mmHg
Molecular Weight 357.539
Flash Point 286.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Piperidinebutyramide,a-phenyl-a-(2-piperidinoethyl)- (7CI,8CI);
PSA 50.56000
LogP 4.18720

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

Product Name

α-Phenyl-α-(2-piperidinoethyl)-1-piperidinebutyramide

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

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