Basic Information | Post buying leads | Suppliers |
Name |
10-Dimethylaminobornan-2-exo-ol |
EINECS | N/A |
CAS No. | 58256-43-2 | Density | 1.003 g/cm3 |
PSA | 23.47000 | LogP | 1.73520 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H23NO | Boiling Point | 255.6 °C at 760 mmHg |
Molecular Weight | 197.321 | Flash Point | 89.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
10-Dimethylaminobornan-2-exo-ol; |
The 10-Dimethylaminobornan-2-exo-ol with the cas number 58256-43-2 is also called Bicyclo[2.2.1]heptan-2-ol,1-[(dimethylamino)methyl]-7,7-dimethyl-, exo- (9CI). The systematic name is (1S,2S,4S)-1-[(dimethylamino)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol. Its molecular formula is C12H23NO. The product category is Chiral Reagents.
The properties of the chemical are: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1.65; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 23.47 Å2; (11)Index of Refraction: 1.509; (12)Molar Refractivity: 58.82 cm3; (13)Molar Volume: 196.7 cm3; (14)Polarizability: 23.32×10-24cm3; (15)Surface Tension: 38.9 dyne/cm; (16)Enthalpy of Vaporization: 57.28 kJ/mol; (17)Vapour Pressure: 0.00244 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O[C@H]1C[C@@H]2CC[C@@]1(CN(C)C)C2(C)C
(2)InChI: InChI=1/C12H23NO/c1-11(2)9-5-6-12(11,8-13(3)4)10(14)7-9/h9-10,14H,5-8H2,1-4H3/t9-,10-,12-/m0/s1
(3)InChIKey: MIRJRWUZYBHBJV-NHCYSSNCBI
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 400mg/kg (400mg/kg) | BEHAVIORAL: ANTICONVULSANT BEHAVIORAL: ANALGESIA | European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 10, Pg. 412, 1975. |