Basic information
- Name:
DL-Glutamic acid monohydrate
- CAS No.:
19285-83-7
- Molecular Structure:
- Formula:
- C5H9NO4.H2O
- Molecular Weight:
- 165.14
- Synonyms:
- 2-aminopentanedioic acid hydrate;glutamic acid, hydrate (1:1);
- EINECS:
- 210-522-2
- Melting Point:
- 194 °C
- Boiling Point:
- 430.7 °C at 760 mmHg
- Flash Point:
- 214.3 °C
- Solubility:
- 20.54 g/L (25 °C) in water
- Appearance:
- White crystalline powder
- Safety Description:
- 24/25 Details
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Specification
The DL-Glutamic acid monohydrate with the CAS number 19285-83-7 is also called glutamic acid, hydrate (1:1). The IUPAC name is 2-aminopentanedioic acid hydrate. Its molecular formula is C5H9NO4.H2O. The EINECS registry number is 210-522-2. While using this chemical, you should avoid it contact with skin and eyes.
The properties of the chemical are: (1)# of Rule of 5 Violations: 1; (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: 6; (7)#H bond donors: 6; (8)#Freely Rotating Bonds: 5; (9)Polar Surface Area: 100.62 Å2; (10)Enthalpy of Vaporization: 76.57 kJ/mol; (11)Vapour Pressure: 8.01×10-9 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O.O=C(O)CCC(N)C(O)=O
(2)InChI: InChI=1/C5H9NO4.H2O/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H2
(3)InChIKey: OZDAOHVKBFBBMZ-UHFFFAOYAA