Empirical Formula of Ammonium mandelate (CAS NO.530-31-4): C8H11NO3
Molecular Weight: 169.1778
EINECS: 208-475-8
Flash Point: 162.6 °C
Enthalpy of Vaporization: 59.5 kJ/mol
Boiling Point: 321.8 °C at 760 mmHg
Vapour Pressure: 0.00012 mmHg at 25 °C
Structure of Ammonium mandelate (CAS NO.530-31-4):
IUPAC Name: Azane ; 2-Hydroxy-2-phenylacetic acid
Canonical SMILES: C1=CC=C(C=C1)C(C(=O)O)O.N
InChI: InChI=1S/C8H8O3.H3N/c9-7(8(10)11)6-4-2-1-3-5-6;/h1-5,7,9H,(H,10,11);1H3
InChIKey: BDEXTKUJIZCFST-UHFFFAOYSA-N
1. | orl-rat LDLo:5000 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 64 (1940),79. | ||
2. | orl-rbt LDLo:5000 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 64 (1940),79. |
Mildly toxic by ingestion. When heated to decomposition Ammonium mandelate (CAS NO.530-31-4) emits toxic fumes of NOx and NH3.
Ammonium mandelate , its cas register number is 530-31-4. It also can be called Ammonium amygdalicum ; Benzeneacetic acid, alpha-hydroxy-, monoammonium salt (9CI) ; and Mandelic acid, monoammonium salt .
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