Product Name

  • Name

    L-3-(3,4-Dimethoxyphenyl)-alpha-amino-2-methylpropionitrile hydrochloride

  • EINECS 219-823-3
  • CAS No. 2544-13-0
  • Article Data2
  • CAS DataBase
  • Density
  • Solubility
  • Melting Point 13-16 °C
  • Formula C12H17ClN2O2
  • Boiling Point 390.6 °C at 760 mmHg
  • Molecular Weight 256.732
  • Flash Point 190 °C
  • Transport Information
  • Appearance yellow or light-white crystalline powder
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 2544-13-0 (L-3-(3,4-Dimethoxyphenyl)-alpha-amino-2-methylpropionitrile hydrochloride)
  • Hazard Symbols
  • Synonyms Benzenepropanenitrile,a-amino-3,4-dimethoxy-a-methyl-, monohydrochloride, (S)-(9CI);Hydrocinnamonitrile, a-amino-3,4-dimethoxy-a-methyl-hydrochloride, L-(+)- (8CI);
  • PSA 68.27000
  • LogP 2.84708

L-3-(3,4-Dimethoxyphenyl)-alpha-amino-2-methylpropionitrile hydrochloride Specification

The Benzenepropanenitrile, alpha-amino-3,4-dimethoxy-alpha-methyl-, hydrochloride (1:1), (alphaS)-, with the CAS registry number 2544-13-0, is also known as Benzenepropanenitrile, α-amino-3,4-dimethoxy-α-methyl-, (alphaS)-, hydrochloride (1:1). Its EINECS number is 219-823-3. This chemical's molecular formula is C12H17ClN2O2 and formula weight is 256.73. What's more, its IUPAC name is called (2S)-2-amino-3-(3,4-dimethoxyphenyl)-2-methylpropanenitrile hydrochloride. This chemical is yellow or light-white crystalline powder.

Physical properties of Benzenepropanenitrile, alpha-amino-3,4-dimethoxy-alpha-methyl-, hydrochloride (1:1), (alphaS)-: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 68.27 Å2; (7)Surface Tension: dyne/cm; (8)Flash Point: 190 °C; (9)Enthalpy of Vaporization: 65.26 kJ/mol; (10)Boiling Point: 390.6 °C at 760 mmHg; (11)Vapour Pressure: 1.74E-06 mmHg at 25°C.
 
You can still convert the following datas into molecular structure:
(1)SMILES:Cl.COc1cc(ccc1OC)C[C@](C)(N)C#N
(2)InChI:InChI=1/C12H16N2O2.ClH/c1-12(14,8-13)7-9-4-5-10(15-2)11(6-9)16-3;/h4-6H,7,14H2,1-3H3;1H/t12-;/m0./s1
(3)InChIKey:CAKVDZOOCWGIPX-YDALLXLXBL

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