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CAS No.: | 35718-03-7 |
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Name: | N-Benzyl-2-norbornanamine |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C14H19N |
Molecular Weight: | 201.312 |
Synonyms: | 2-(Benzylamino)norbornane;N-Benzyl-2-aminobicyclo[2.2.1]heptane;NSC 87598; |
EINECS: | 252-689-4 |
Density: | 1.04g/cm3 |
Boiling Point: | 307.4 °C at 760 mmHg |
Flash Point: | 143.5 °C |
PSA: | 12.03000 |
LogP: | 3.35570 |
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The N-Benzyl-2-norbornanamine with the cas number 35718-03-7 is also called Bicyclo[2.2.1]heptan-2-amine,N-(phenylmethyl)-. The IUPAC name is N-benzylbicyclo[2.2.1]heptan-3-amine. Its EINECS registry number is 252-689-4. The molecular formula is C14H19N.
The properties of the chemical are: (1)ACD/LogP: 3.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.34; (4)ACD/LogD (pH 7.4): 0.81; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.43; (8)ACD/KOC (pH 7.4): 4.21; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 63.29 cm3; (15)Molar Volume: 193.5 cm3; (16)Polarizability: 25.09×10-24cm3; (17)Surface Tension: 40.2 dyne/cm; (18)Enthalpy of Vaporization: 54.8 kJ/mol; (19)Vapour Pressure: 0.000727 mmHg at 25°C.
Uses: This chemical can prepare 2-norbornylamine. This reaction needs reagent N2H4*H2O, catalyst 10percent Pd/C and solvent ethanol at heating condition. The reaction time is 2.0 hours. The yield is 84%.
You can still convert the following datas into molecular structure:
(1)SMILES: N(Cc1ccccc1)C3CC2CCC3C2
(2)InChI: InChI=1/C14H19N/c1-2-4-11(5-3-1)10-15-14-9-12-6-7-13(14)8-12/h1-5,12-15H,6-10H2
(3)InChIKey: DOMDOUHZPYAOCT-UHFFFAOYAF
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
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mouse | LD50 | intravenous | 180mg/kg (180mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02399, |