3-Pyrrolidineaceticacid, 2-carboxy-4-(1-methylethenyl)-, hydrate (1:1), (2S,3S,4S)- supplier

Name
KAINIC ACID 2-CARBOXY-3-CARBOXYMETHYL-4-ISOPROPENYLPYRROLIDINE
EINECS
CAS No. 58002-62-3
Density
Solubility H₂O: >10 mg/mL
Melting Point 250-252°C
Formula C₁₀H₁₇NO₅
Boiling Point 439.9 °C at 760 mmHg
Molecular Weight 231.25
Flash Point 219.8 °C
Transport Information
Appearance white solid
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms L-Proline, 3-(carboxymethyl)-4-(1-methylethenyl)-, (3S,4S)-, hydrate (1:1);(-)-(α)-Kainic acid;(2S,3S,4S)-2-Carboxy-4-isopropenyl-3-pyrrolidineacetic acid;Kainic acid monohydrate Digenea simplex;
PSA 95.86000
LogP 0.59050

3-Pyrrolidineaceticacid, 2-carboxy-4-(1-methylethenyl)-, hydrate (1:1), (2S,3S,4S)- Specification

The 3-Pyrrolidineaceticacid, 2-carboxy-4-(1-methylethenyl)-, hydrate (1:1), (2S,3S,4S)-, with the CAS registry number 58002-62-3, is also known as L-Proline, 3-(carboxymethyl)-4-(1-methylethenyl)-, (3S,4S)-, hydrate (1:1). It belongs to the product categories of Miscellaneous; Glutamate. This chemical's molecular formula is C₁₀H₁₇NO₅ and molecular weight is 231.25. What's more, its systematic name is (3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-yl-L-proline hydrate (1:1). Its storage temperature is 2-8°C. When you are using this chemical, please be cautious about it. Do not breathe dust and avoid contact with skin and eyes.

Physical properties of 3-Pyrrolidineaceticacid, 2-carboxy-4-(1-methylethenyl)-, hydrate (1:1), (2S,3S,4S)- are: (1)ACD/LogP: 0.50; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 55.84 Å²; (7)Flash Point: 219.8 °C; (8)Enthalpy of Vaporization: 76.41 kJ/mol; (9)Boiling Point: 439.9 °C at 760 mmHg; (10)Vapour Pressure: 5.74E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H]1NC[C@H](\C(=C)C)[C@@H]1CC(=O)O.O
(2)Std. InChI: InChI=1S/C10H15NO4.H2O/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13;/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15);1H2/t6-,7+,9-;/m0./s1
(3)Std. InChIKey: FZNZRJRSYLQHLT-SLGZUKMRSA-N

Product Name

KAINIC ACID 2-CARBOXY-3-CARBOXYMETHYL-4-ISOPROPENYLPYRROLIDINE

3-Pyrrolidineaceticacid, 2-carboxy-4-(1-methylethenyl)-, hydrate (1:1), (2S,3S,4S)- Specification

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