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121055-07-0

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Basic Information
CAS No.: 121055-07-0
Name: (+)-endo-2-Aminonorbornane
Article Data: 13
Molecular Structure:
Molecular Structure of 121055-07-0 ((+)-endo-2-Aminonorbornane)
Formula: C7H13N
Molecular Weight: 111.187
Synonyms: Bicyclo[2.2.1]heptan-2-amine,(1R-endo)-;(+)-endo-2-Aminonorbornane;(1R,2S,4S)-Bicyclo[2.2.1]heptan-2-amine;(1R-endo)-2-Norbornanamine;
Density: 0.986 g/cm3
Boiling Point: 160.001 °C at 760 mmHg
Flash Point: 35 ºC
PSA: 26.02000
LogP: 1.83400
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Specification

The (1R,2S,4S)-Bicyclo[2.2.1]heptan-2-amine, with the CAS registry number 121055-07-0, is also called (+)-endo-2-Aminonorbornane. The molecular formula of the chemical is C7H13N.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.02 Å2; (13)Index of Refraction: 1.513; (14)Molar Refractivity: 33.887 cm3; (15)Molar Volume: 112.784 cm3; (16)Polarizability: 13.434×10-24cm3; (17)Surface Tension: 37.38 dyne/cm; (18)Density: 0.986 g/cm3; (19)Flash Point: 35 °C; (20)Enthalpy of Vaporization: 39.662 kJ/mol; (21)Boiling Point: 160.001 °C at 760 mmHg; (22)Vapour Pressure: 2.436 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N[C@H]2C[C@H]1CC[C@@H]2C1
(2)InChI: InChI=1/C7H13N/c8-7-4-5-1-2-6(7)3-5/h5-7H,1-4,8H2/t5-,6+,7-/m0/s1
(3)InChIKey: JEPPYVOSGKWVSJ-XVMARJQXBF