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Bicyclo[2.2.1]heptan-2-amine,N-(phenylmethyl)- (35718-03-7)

Identification
Name:Bicyclo[2.2.1]heptan-2-amine,N-(phenylmethyl)-
Synonyms:2-(Benzylamino)norbornane;N-Benzyl-2-aminobicyclo[2.2.1]heptane;NSC 87598;
CAS:35718-03-7
EINECS: 252-689-4
Molecular Formula: C14H19N
Molecular Weight: 201.31
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
Molecular Structure: (C14H19N) 2-(Benzylamino)norbornane;N-Benzyl-2-aminobicyclo[2.2.1]heptane;NSC 87598;
Properties
Flash Point: 143.5°C
Boiling Point: 307.4°Cat760mmHg
Density:1.04g/cm3
Refractive index:1.567
Specification:

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
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02399,

Flash Point: 143.5°C
Safety Data
 

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