Product Name

  • Name

    DL-CYCLOSERINE

  • EINECS 200-687-9
  • CAS No. 68-39-3
  • Article Data21
  • CAS DataBase
  • Density 1.278 g/cm3
  • Solubility
  • Melting Point 147 °C
  • Formula C3H6N2O2
  • Boiling Point
  • Molecular Weight 102.093
  • Flash Point
  • Transport Information
  • Appearance Crystalline
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 68-39-3 (DL-CYCLOSERINE)
  • Hazard Symbols
  • Synonyms 3-Oxoisooxazolidin-4-amine;4-Amino-3-isoxazolidinone;DL-Cycloserine;DL-4-Amino-3-isoxazolidinone;4-Amino-1,2-oxazolidin-3-one;
  • PSA
  • LogP

3-Isoxazolidinone,4-amino- Specification

The 3-Isoxazolidinone,4-amino-, with the CAS registry number 68-39-3, is also known as DL-4-Amino-3-isoxazolidinone. Its EINECS number is 200-687-9. It belongs to the product category of Variousamine. This chemical's molecular formula is C3H6N2O2 and molecular weight is 102.09. What's more, its systematic name is 4-Amino-1,2-oxazolidin-3-one. Its classification code is Drug / Therapeutic Agent. Its storage temperature is -20 °C.

Physical properties of 3-Isoxazolidinone,4-amino- are: (1)ACD/LogP: -1.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.39; (4)ACD/LogD (pH 7.4): -1.85; (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): 2.31; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 32.78 Å2; (13)Index of Refraction: 1.474; (14)Molar Refractivity: 22.47 cm3; (15)Molar Volume: 79.8 cm3; (16)Polarizability: 8.9×10-24 cm3; (17)Surface Tension: 40.8 dyne/cm; (18)Density: 1.278 g/cm3.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C(C(=O)NO1)N
(2)InChI: InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)
(3)InChIKey: DYDCUQKUCUHJBH-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3200mg/kg (3200mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 21, Pg. 298, 1971.
mouse LD50 intravenous 2814mg/kg (2814mg/kg)   Farmaco, Edizione Scientifica. Vol. 13, Pg. 447, 1958.

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