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13018-50-3

Basic Information
CAS No.: 13018-50-3
Name: N,N'-Bis(1-methyl-4-phenyl-4-piperidylmethyl)decanediamide
Molecular Structure:
Molecular Structure of 13018-50-3 (N,N'-Bis(1-methyl-4-phenyl-4-piperidylmethyl)decanediamide)
Formula: C36H54 N4 O2
Molecular Weight: 574.85
Synonyms: Decanediamide,N,N'-bis[(1-methyl-4-phenyl-4-piperidinyl)methyl]- (9CI); Decanediamide, N,N'-bis[(1-methyl-4-phenyl-4-piperidyl)methyl]-(6CI,7CI,8CI); 1665 I.S.;N,N'-Bis[(1-methyl-4-phenyl-4-piperidyl)methyl]decanediamide; NSC 664983; NSC86697
Density: 1.043g/cm3
Boiling Point: 755.4°Cat760mmHg
Flash Point: 410.6°C
Safety: Poison by intravenous and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
PSA: 64.68000
LogP: 6.32440
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Chemistry

Product Name: N,N'-Bis(1-methyl-4-phenyl-4-piperidylmethyl)sebacamide (CAS NO.13018-50-3)


Molecular Formula: C36H54N4O2
Molecular Weight: 574.94g/mol
Mol File: 13018-50-3.mol
Boiling point: 755.4 °C at 760 mmHg
Flash Point: 410.6 °C
Density: 1.043 g/cm3
Surface Tension: 40.8 dyne/cm
Enthalpy of Vaporization: 110.06 kJ/mol
Vapour Pressure: 1.05E-22 mmHg at 25°C
XLogP3-AA: 6.2
H-Bond Donor: 2
H-Bond Acceptor: 4
Structure Descriptors of N,N'-Bis(1-methyl-4-phenyl-4-piperidylmethyl)sebacamide (CAS NO.13018-50-3):
  IUPAC Name: N,N'-bis[(1-methyl-4-phenylpiperidin-4-yl)methyl]decanediamide
  Canonical SMILES: CN1CCC(CC1)(CNC(=O)CCCCCCCCC(=O)NCC2(CCN(CC2)C)C3=CC=CC=C3)C4=CC=CC=C4
  InChI: InChI=1S/C36H54N4O2/c1-39-25-21-35(22-26-39,31-15-9-7-10-16-31)29-37-33(41)19-13-5-3-4-6-14-20-34(42)38-30-36(23-27-40(2)28-24-36)32-17-11-8-12-18-32/h7-12,15-18H,3-6,13-14,19-30H2,1-2H3,(H,37,41)(H,38,42) 
  InChIKey: DMPYTENYPFANFS-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 intraperitoneal 40mg/kg (40mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Farmaco, Edizione Scientifica. Vol. 17, Pg. 24, 1962.
guinea pig LD50 intravenous 4mg/kg (4mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Farmaco, Edizione Scientifica. Vol. 17, Pg. 24, 1962.
mouse LD50 intraperitoneal 5mg/kg (5mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Farmaco, Edizione Scientifica. Vol. 17, Pg. 24, 1962.
mouse LD50 intravenous 2820ug/kg (2.82mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12224,
rat LD50 intraperitoneal 17500mg/kg (17500mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Farmaco, Edizione Scientifica. Vol. 17, Pg. 24, 1962.
rat LD50 intravenous 12mg/kg (12mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Farmaco, Edizione Scientifica. Vol. 17, Pg. 24, 1962.

Safety Profile

Poison by intravenous and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.

Specification

 N,N'-Bis(1-methyl-4-phenyl-4-piperidylmethyl)sebacamide ,its CAS NO. is 13018-50-3,the synonyms is 4-22-00-04276 (Beilstein Handbook Reference) ; BRN 0380209 ; Diammide sebacica della 4-fenil-4-amminometil-N-metilpiperidina ; NSC 664983 ; 1,10-Decanediamide, N,N'-bis(1-methyl-4-phenyl-4-piperidylmethyl)- ; Decanediamide, N,N'-bis((1-methyl-4-phenyl-4-piperidinyl)methyl)- (9CI) .