Product Name

  • Name

    3-Bromo-1-(2-methylaminopropyl)adamantane hydrochloride

  • EINECS
  • CAS No. 31898-11-0
  • Density g/cm3
  • Solubility
  • Melting Point
  • Formula C14H24 Br N . Cl H
  • Boiling Point 319.3°Cat760mmHg
  • Molecular Weight 322.76
  • Flash Point 146.9°C
  • Transport Information
  • Appearance
  • Safety Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of Br, NOx, and HCl.
  • Risk Codes
  • Molecular Structure Molecular Structure of 31898-11-0 (3-Bromo-1-(2-methylaminopropyl)adamantane hydrochloride)
  • Hazard Symbols
  • Synonyms 1-Adamantaneethylamine,3-bromo-N,a-dimethyl-, hydrochloride (8CI);Tricyclo[3.3.1.13,7]decane-1-ethanamine, 3-bromo-N,a-dimethyl-, hydrochloride (9CI)
  • PSA 12.03000
  • LogP 4.91120

2-Propylamine, 1-(3-bromo-1-adamantyl)-N-methyl-, hydrochloride Chemical Properties

Empirical Formula of 2-Propylamine, 1-(3-bromo-1-adamantyl)-N-methyl-, hydrochloride (CAS NO.31898-11-0): C14H25BrClN
Molecular Weight: 322.712 g/mol
Flash Point: 146.9 °C
Enthalpy of Vaporization: 56.09 kJ/mol
Boiling Point: 319.3 °C at 760 mmHg
Vapour Pressure: 0.000341 mmHg at 25 °C
Structure of 2-Propylamine, 1-(3-bromo-1-adamantyl)-N-methyl-, hydrochloride (CAS NO.31898-11-0):
                         
IUPAC Name: 1-(3-Bromo-1-adamantyl)-N-methylpropan-2-amine hydrochloride
Canonical SMILES: CC(CC12CC3CC(C1)CC(C3)(C2)Br)NC.Cl
InChI: InChI=1S/C14H24BrN.ClH/c1-10(16-2)4-13-5-11-3-12(6-13)8-14(15,7-11)9-13;/h10-12,16H,3-9H2,1-2H3;1H
InChIKey: IBLIMURONGSVLV-UHFFFAOYSA-N

2-Propylamine, 1-(3-bromo-1-adamantyl)-N-methyl-, hydrochloride Toxicity Data With Reference

1.    

orl-mus LD50:400 mg/kg

    JMCMAR    Journal of Medicinal Chemistry. 17 (1974),602.
2.    

ipr-mus LD50:150 mg/kg

    JMCMAR    Journal of Medicinal Chemistry. 17 (1974),602.

2-Propylamine, 1-(3-bromo-1-adamantyl)-N-methyl-, hydrochloride Safety Profile

Poison by ingestion and intraperitoneal routes. When heated to decomposition 2-Propylamine, 1-(3-bromo-1-adamantyl)-N-methyl-, hydrochloride (CAS NO.31898-11-0) emits very toxic fumes of Br, NOx, and HCl.

2-Propylamine, 1-(3-bromo-1-adamantyl)-N-methyl-, hydrochloride Specification

 2-Propylamine, 1-(3-bromo-1-adamantyl)-N-methyl-, hydrochloride , its cas register number is 13551-92-3. It also can be called Adamantane, 3-bromo-1-(2-methylaminopropyl)-, hydrochloride .

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