This chemical is called 3,10-Diaminotricyclo(5.2.1.0(sup 2,6))decane, and its systematic name is 4,7-Methanoindan, hexahydro-1,8-diamino-. With the molecular formula of C10H18N2, its molecular weight is 166.26332 . The CAS registry number of this chemical is 6818-18-4.
Other characteristics of the 3,10-Diaminotricyclo(5.2.1.0(sup 2,6))decane can be summarised as followings: (1)ACD/LogP: 0.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.69; (4)ACD/LogD (pH 7.4): -3.68; (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: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 49.32 cm3; (15)Molar Volume: 154.5 cm3; (16)Polarizability: 19.55×10-24cm3; (17)Surface Tension: 43.7 dyne/cm; (18)Density: 1.075 g/cm3; (19)Flash Point: 126.6 °C; (20)Enthalpy of Vaporization: 49.23 kJ/mol; (21)Boiling Point: 254.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0168 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: NC2CCC1C3CCC(C12)C3N
2.InChI: InChI=1/C10H18N2/c11-8-4-3-5-6-1-2-7(9(5)8)10(6)12/h5-10H,1-4,11-12H2
3.InChIKey: LKNAADOFXVIZGJ-UHFFFAOYAL
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rabbit | LD50 | skin | 530uL/kg (0.53mL/kg) | Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974. Link to PubMed | |
rat | LD50 | oral | 1070uL/kg (1.07mL/kg) | Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974. Link to PubMed |
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