Product Name

  • Name

    3,4,4a,5,6,7,8,8a-Octahydro-1,6-methanonaphthalen-1(2H)-amine

  • EINECS
  • CAS No. 60145-64-4
  • Density 1.036g/cm3
  • Solubility
  • Melting Point
  • Formula C11H19N
  • Boiling Point 245.8°Cat760mmHg
  • Molecular Weight 165.31
  • Flash Point 108°C
  • Transport Information
  • Appearance
  • Safety Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx. See also AMINES.
  • Risk Codes
  • Molecular Structure Molecular Structure of 60145-64-4 (3,4,4a,5,6,7,8,8a-Octahydro-1,6-methanonaphthalen-1(2H)-amine)
  • Hazard Symbols
  • Synonyms 3-Amino-4-homoisotwistan;Octahydro-1,6-methano-naphthalen-4a-ylamine;
  • PSA 26.02000
  • LogP 3.00430

3-Amino-4-homoisotwistane Chemical Properties

Molecule structure of 3-Amino-4-homoisotwistane (CAS NO.60145-64-4) :

Molecular Weight: 165.27526 g/mol
Molecular Formula: C11H19
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

3-Amino-4-homoisotwistane Toxicity Data With Reference

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 .

3-Amino-4-homoisotwistane Safety Profile

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 Specification

 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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