Molecule structure of 3-Amino-4-homoisotwistane (CAS NO.60145-64-4) :
Molecular Weight: 165.27526 g/mol
Molecular Formula: C11H19N
Density: 1.036 g/cm3
Boiling Point: 245.8 °C at 760 mmHg
Flash Point: 108 °C
Index of Refraction: 1.543
Molar Refractivity: 50.28 cm3
Molar Volume: 159.5 cm3
Polarizability: 19.93*10-24 cm3
Surface Tension: 44 dyne/cm
Enthalpy of Vaporization: 48.29 kJ/mol
Vapour Pressure: 0.0281 mmHg at 25 °C
XLogP3-AA: 2.3
H-Bond Donor: 1
H-Bond Acceptor: 1
Exact Mass: 165.15175
MonoIsotopic Mass: 165.15175
Topological Polar Surface Area: 26
Heavy Atom Count: 12
Complexity: 201
Canonical SMILES: C1CC2CC3CCC2C(C1)(C3)N
InChI: InChI=1S/C11H19N/c12-11-5-1-2-9-6-8(7-11)3-4-10(9)11/h8-10H,1-7,12H2
InChIKey of 3-Amino-4-homoisotwistane (CAS NO.60145-64-4) : HBQIEQAURBDCQB-UHFFFAOYSA-N
1. | orl-mus LD50:550 mg/kg | JKXXAF Japanese Kokai Tokkyo Koho Patents. (U.S. Patent Office, Science Library, 2021 Jefferson Davis Highway, Arlington, VA 22202) #78-50338 . | ||
2. | ipr-mus LD50:102 mg/kg | JKXXAF Japanese Kokai Tokkyo Koho Patents. (U.S. Patent Office, Science Library, 2021 Jefferson Davis Highway, Arlington, VA 22202) #78-50338 . | ||
3. | ivn-mus LD50:40 mg/kg | JKXXAF Japanese Kokai Tokkyo Koho Patents. (U.S. Patent Office, Science Library, 2021 Jefferson Davis Highway, Arlington, VA 22202) #78-50338 . |
Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx. See also AMINES.
3-Amino-4-homoisotwistane (CAS NO.60145-64-4) is also called BRN 2074233 ; Octahydro-1,6-methanonaphthalen-1(2H)-amine ; 1,6-Methanonaphthalen-1(2H)-amine, octahydro- .
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