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Basic Information
CAS No.: 29876-14-0
Name: Nicotredole
Article Data: 13
Molecular Structure:
Molecular Structure of 29876-14-0 (Nicotredole)
Formula: C16H15 N3 O
Molecular Weight: 265.315
Synonyms: Nicotinamide,N-(2-indol-3-ylethyl)- (8CI); N-(2-Indol-3-ylethyl)nicotinamide;N-Nicotinoyltryptamine; NSC 138472; Nicotredole; Tryptamide
Density: 1.247g/cm3
Boiling Point: 588.4°Cat760mmHg
Flash Point: 309.7°C
Safety: Moderately toxic by intraperitoneal route. An experimental teratogen. When heated to decomposition it emits toxic fumes of NOx.
PSA: 57.78000
LogP: 2.92630
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Chemistry

IUPAC Name: N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide 
Synonyms of N-Nicotinoyltryptamide (CAS NO.29876-14-0): 5-22-10-00125 (Beilstein Handbook Reference) ; BRN 0242441 ; N-(2-(1H-Indol-3-yl)ethyl)-3-pyridinecarboxamide ; N-(2-(3-Indolyl)ethyl)-nicotinamide ; N-3-Pyridoyltryptamine ; NSC 138472 ; Nicotredole ; Tryptamide ; UNII-0F1T12OCLX ; 3-Pyridinecarboxamide, N-(2-(1H-indol-3-yl)ethyl)- (9CI) ; Nicotinamide, N-(2-indol-3-ylethyl)-
CAS NO: 29876-14-0
Molecular Formula of N-Nicotinoyltryptamide (CAS NO.29876-14-0): C16H15N3O
Molecular Weight: 265.3098
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 4
Polar Surface Area: 38.13 Å2
Index of Refraction: 1.669
Molar Refractivity: 79.36 cm3
Molar Volume: 212.6 cm3
Surface Tension: 59.2 dyne/cm
Density of N-Nicotinoyltryptamide (CAS NO.29876-14-0): 1.247 g/cm3
Flash Point: 309.7 °C
Enthalpy of Vaporization: 87.84 kJ/mol
Boiling Point: 588.4 °C at 760 mmHg
Vapour Pressure: 7.96E-14 mmHg at 25°C
Molecular Structure:

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1250mg/kg (1250mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Dissertationes Pharmaceuticae et Pharmacologicae. Vol. 22, Pg. 313, 1970.

Safety Profile

Moderately toxic by intraperitoneal route. An experimental teratogen. When heated to decomposition it emits toxic fumes of NOx.