Product Name

  • Name

    D-Allylglycine

  • EINECS 231-689-8
  • CAS No. 54594-06-8
  • Article Data38
  • CAS DataBase
  • Density 1.098 g/cm3
  • Solubility
  • Melting Point 239.3-241.2 °C
  • Formula C5H9NO2
  • Boiling Point 231 °C at 760 mmHg
  • Molecular Weight 115.132
  • Flash Point 93.5 °C
  • Transport Information
  • Appearance off-white solid
  • Safety 22-24/25-36-26
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 54594-06-8 (D-Allylglycine)
  • Hazard Symbols IrritantXi
  • Synonyms 4-Pentenoicacid, 2-amino-, (R)-;(+)-Allylglycine;(2R)-2-Amino-4-pentenoic acid;(R)-2-Amino-4-pentenoic acid;(R)-Allylglycine;D-2-Amino-4-pentenoic acid;D-Allylglycine;D-a-Allylglycine;
  • PSA 49.33000
  • LogP 0.23750

D-Allylglycine Specification

The 4-Pentenoic acid,2-amino-, (2R)-, with the CAS registry number 54594-06-8, is also known as D-2-Amino-4-pentenoic acid. It belongs to the product categories of Amino Acids; Amino Acid Derivatives; Chiral Reagent; API; Amino Acids 13C, 2H, 15N; Amino Acids & Derivatives; A-Amino. This chemical's molecular formula is C5H9NO2 and molecular weight is 115.13. Its IUPAC name is called (2R)-2-aminopent-4-enoic acid. This chemical can be used for the preparation of enantiomerically pure a-tertiary and a-quaternary a-amino acids.

Physical properties of 4-Pentenoic acid,2-amino-, (2R)-: (1)ACD/LogP: 0.26; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 4; (9)Index of Refraction: 1.484; (10)Molar Refractivity: 29.99 cm3; (11)Molar Volume: 104.8 cm3; (12)Surface Tension: 42.8 dyne/cm; (13)Density: 1.098 g/cm3; (14)Flash Point: 93.5 °C; (15)Enthalpy of Vaporization: 51.51 kJ/mol; (16)Boiling Point: 231 °C at 760 mmHg; (17)Vapour Pressure: 0.0226 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C=CCC(C(=O)O)N
(2)Isomeric SMILES: C=CC[C@H](C(=O)O)N
(3)InChI: InChI=1S/C5H9NO2/c1-2-3-4(6)5(7)8/h2,4H,1,3,6H2,(H,7,8)/t4-/m1/s1
(4)InChIKey: WNNNWFKQCKFSDK-SCSAIBSYSA-N

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