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5302-45-4

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  • 5302-45-4 Structure

  • Basic information

    1. Product Name: 3-N-OXALYL-L-2,3-DIAMINOPROPANOICACID
    2. Synonyms: 3-N-OXALYL-L-2,3-DIAMINOPROPANOICACID;BETA-N-OXALYL-ALPHA,BETA-DIAMINOPROPIONICACID;BETA-N-OXALAMINO-L-ALANINE;BETA-N-OXYALYLAMINE-L-ALANINE;(S)-2-Amino-3-[(1,2-dioxo-2-hydroxyethyl)amino]propionic acid;Dencichin;ODAP;β-L-ODAP
    3. CAS NO:5302-45-4
    4. Molecular Formula: C5H8N2O5
    5. Molecular Weight: 176.13
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 5302-45-4.mol
    9. Article Data: 0

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: °Cat760mmHg
    3. Flash Point: °C
    4. Appearance: white to beige/
    5. Density: 1.596±0.06 g/cm3 (20 ºC 760 Torr)
    6. Vapor Pressure: 1.89E-19mmHg at 25°C
    7. Refractive Index: 1.728
    8. Storage Temp.: -20°C
    9. Solubility: 0.1 M HCl: soluble2mg/mL, clear (warmed)
    10. PKA: 1.99±0.10(Predicted)
    11. CAS DataBase Reference: 3-N-OXALYL-L-2,3-DIAMINOPROPANOICACID(CAS DataBase Reference)
    12. NIST Chemistry Reference: 3-N-OXALYL-L-2,3-DIAMINOPROPANOICACID(5302-45-4)
    13. EPA Substance Registry System: 3-N-OXALYL-L-2,3-DIAMINOPROPANOICACID(5302-45-4)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 5302-45-4(Hazardous Substances Data)

5302-45-4 Usage

Definition

ChEBI: An Nbeta-acyl-L-2,3-diaminopropionic acid in which the acyl group is oxalyl.

Check Digit Verification of cas no

The CAS Registry Mumber 5302-45-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,3,0 and 2 respectively; the second part has 2 digits, 4 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 5302-45:
(6*5)+(5*3)+(4*0)+(3*2)+(2*4)+(1*5)=64
64 % 10 = 4
So 5302-45-4 is a valid CAS Registry Number.
InChI:InChI=1/C26H22INO6S3/c1-26(2)21(35)18(25-36-19(23(30)33-4)20(37-25)24(31)34-5)16-11-10-15(32-3)12-17(16)28(26)22(29)13-6-8-14(27)9-7-13/h6-12H,1-5H3

5302-45-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name N3-oxalyl-L-2,3-diaminopropionic acid

1.2 Other means of identification

Product number -
Other names (2S)-2-ammonio-3-[(carboxylatocarbonyl)amino]propanoate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:5302-45-4 SDS

5302-45-4Synthetic route

(S)-2,3-diaminopropanoic acid hydrochloride
1482-97-9

(S)-2,3-diaminopropanoic acid hydrochloride

oxalic acid diethyl ester
95-92-1

oxalic acid diethyl ester

b-oxalylamino-L-alanine
5302-45-4

b-oxalylamino-L-alanine

Conditions
ConditionsYield
With lithium hydroxide In ethanol; water
b-oxalylamino-L-alanine
5302-45-4

b-oxalylamino-L-alanine

(S)-2,3-diaminopropionic acid
515-94-6, 1915-96-4, 4033-39-0, 6018-54-8

(S)-2,3-diaminopropionic acid

Conditions
ConditionsYield
With diclazuril 1) D2O, 55 deg C, 60 h, 2) 55 deg C, 24 h; Yield given. Multistep reaction;
b-oxalylamino-L-alanine
5302-45-4

b-oxalylamino-L-alanine

α-N-oxalyl-L-α,β-diaminopropionic acid
61277-72-3

α-N-oxalyl-L-α,β-diaminopropionic acid

Conditions
ConditionsYield
In water-d2 at 55℃; Mechanism; isomerization; also starting from α-N-oxalyl-L-α,β-diaminopropionic acid; other temperature; pH 2.3 and 6.6; higher homologues;
In water at 80℃; Rate constant; Mechanism; effects of pH, time, temperature on isomerization of title comp.; using of flow injection system based on glutamate oxidase reactor;
In water at 55 - 95℃; pH=2.5 - 13.0; Equilibrium constant; Activation energy; Kinetics; Isomerization;
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