Product Name

  • Name

    N-methyl-1-(octahydro-1H-2,5-methanoinden-4-yl)methanamine (2Z)-but-2-enedioate

  • EINECS
  • CAS No. 59177-78-5
  • Density
  • Solubility
  • Melting Point
  • Formula C18H25N•C4H4O4
  • Boiling Point 238.6°C at 760 mmHg
  • Molecular Weight 371.52
  • Flash Point 92.5°C
  • Transport Information
  • Appearance
  • Safety Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 59177-78-5 (N-methyl-1-(octahydro-1H-2,5-methanoinden-4-yl)methanamine (2Z)-but-2-enedioate)
  • Hazard Symbols
  • Synonyms
  • PSA
  • LogP

N-Benzyl-4-protoadamantanemethanamine maleate Chemical Properties

Molecule structure of N-Benzyl-4-protoadamantanemethanamine maleate (CAS NO.59177-78-5):

Molecular Weight: 295.374 g/mol
Molecular Formula: C16H25NO4 
Boiling Point: 238.6 °C at 760 mmHg
Flash Point: 92.5 °C
Enthalpy of Vaporization: 47.55 kJ/mol
Vapour Pressure: 0.042 mmHg at 25 °C
H-Bond Donor: 3
H-Bond Acceptor: 5
Rotatable Bond Count: 4
Exact Mass: 295.178358
MonoIsotopic Mass: 295.178358
Topological Polar Surface Area: 86.6
Heavy Atom Count: 21
Complexity: 320
Undefined Atom StereoCenter Count: 5
Defined Bond StereoCenter Count: 1
Covalently-Bonded Unit Count: 2 
Canonical SMILES: CNCC1C2CCC3C1CC(C3)C2.C(=CC(=O)O)C(=O)O
Isomeric SMILES: CNCC1C2CCC3C1CC(C3)C2.C(=C\C(=O)O)\C(=O)O
InChI: InChI=1S/C12H21N.C4H4O4/c1-13-7-12-10-3-2-9-4-8(5-10)6-11(9)12;5-3(6)1-2-4(7)8/h8-13H,2-7H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey: ALGSTNZPXIHUIG-BTJKTKAUSA-N
Classification Code of N-Benzyl-4-protoadamantanemethanamine maleate (CAS NO.59177-78-5): Drug / Therapeutic Agent 

N-Benzyl-4-protoadamantanemethanamine maleate Toxicity Data With Reference

1.    

orl-mus LD50:186 mg/kg

     JMCMAR    Journal of Medicinal Chemistry. 19 (1976),967.
2.    

ipr-mus LD50:74 mg/kg

     JMCMAR    Journal of Medicinal Chemistry. 19 (1976),967.

N-Benzyl-4-protoadamantanemethanamine maleate Safety Profile

Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.

N-Benzyl-4-protoadamantanemethanamine maleate Specification

 N-Benzyl-4-protoadamantanemethanamine maleate (CAS NO.59177-78-5) is also named as 2,5-Methanoindan-4-methylamine, hexahydro-N-benzyl-, maleate .

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