Product Name

  • Name

    1-(METHYLAMINO)ADAMANTANE

  • EINECS
  • CAS No. 3717-38-2
  • Article Data2
  • CAS DataBase
  • Density 1 g/cm3
  • Solubility
  • Melting Point
  • Formula C11H19N
  • Boiling Point 226.8 °C at 760 mmHg
  • Molecular Weight 165.279
  • Flash Point 84 °C
  • Transport Information
  • Appearance
  • Safety 26
  • Risk Codes 22-36/37/38
  • Molecular Structure Molecular Structure of 3717-38-2 (1-(METHYLAMINO)ADAMANTANE)
  • Hazard Symbols Xn
  • Synonyms N-(1-Adamantyl)-N-methylamine;
  • PSA 12.03000
  • LogP 2.56550

Tricyclo[3.3.1.13,7]decan-1-amine,N-methyl- Specification

The Tricyclo[3.3.1.13,7]decan-1-amine,N-methyl-, with the CAS registry number of 3717-38-2, is also known as N-(1-Adamantyl)-N-methylamine. Its molecular formula is C11H19N and molecular weight is 165.275260. What's more, its IUPAC name is N-Methyladamantan-1-amine. This chemical's classification code is Drug / Therapeutic Agent.

Physical properties about the Tricyclo[3.3.1.13,7]decan-1-amine,N-methyl- are: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.65; (4)ACD/LogD (pH 7.4): -0.59; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 50.44 cm3; (15)Molar Volume: 164 cm3; (16)Surface Tension: 35.4 dyne/cm; (17)Density: 1 g/cm3; (18)Flash Point: 84 °C; (19)Enthalpy of Vaporization: 46.33 kJ/mol; (20)Boiling Point: 226.8 °C at 760 mmHg; (21)Vapour Pressure: 0.0804 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N(C)C13CC2CC(CC(C1)C2)C3
(2) InChI: InChI=1/C11H19N/c1-12-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10,12H,2-7H2,1H3
(3) InChIKey: NZOLSRPWNVZXTK-UHFFFAOYAR

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 175mg/kg (175mg/kg)   Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 14(3), Pg. 59, 1980.

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View