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Name	N-Benzyl-4-protoadamantanemethanamine maleate	EINECS	N/A
CAS No.	59177-78-5	Density	N/A
PSA	N/A	LogP	N/A
Solubility	N/A	Melting Point	N/A
Formula	C₁₈H₂₅N•C₄H₄O₄	Boiling Point	238.6°C at 760 mmHg
Molecular Weight	371.52	Flash Point	92.5°C
Transport Information	N/A	Appearance	N/A
Safety	Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NO_x.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	N/A

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 NO_x.

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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