Mandelic acid, monoammonium salt
Basic information
- CAS
530-31-4- Standard SMILES
N.O=C(O)C(O)c1ccccc1- InChIKey
BDEXTKUJIZCFST-UHFFFAOYSA-N- Molecular formula
- C8H11NO3
- Average molar mass
- 169.18 g/mol
- Monoisotopic mass
- 169.07389321
Names & identifiers
- Preferred name
- Mandelic acid, monoammonium salt
- IUPAC
- azane;2-hydroxy-2-phenylacetic acid
- English name
- AMMONIUM M AND ELATE
- Molecular formula
- C8H11NO3
- Molecular weight
- 169.18
Names & synonyms
Mandelic acid, monoammonium saltRefChem:112176Ammonium mandelate530-31-4azane;2-hydroxy-2-phenylacetic acid2-hydroxy-2-phenylacetic acid, ammonia saltMandicidmandelic acid ammonium saltAmdelateAmmoketAmmonium amygdalicumBenzeneacetic acid, alpha-hydroxy-, ammonium salt
Show more names
ammoniumamygdalicumAMMONIUM M AND ELATEMandelicammoniumsaltmandelicacid,ammoniumsaltmandelicacid,monoammoniumsaltα-Hydroxybenzeneacetic acid ammonium saltalpha-hydroxy-benzeneaceticacimonoammoniumsalt
6PGE18556EEINECS 208-475-8Ammonium mandelate [USP]UNII-6PGE18556EAI3-36574alpha-Hydroxybenzeneacetic acid monoammonium saltMANDELIC ACID, AMMONIUM SALTSCHEMBL364164
Database identifiers
- CAS
530-31-4- PubChem CID
- 10732
- DTXSID
DTXSID30967475- ChEMBL
CHEMBL2105969- EC Number
- 208-475-8
Properties
Computed structural properties
- Topological polar surface area
- 58.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Melting point
- 131 · 131-132 °C
- FDA UNII
- 6 PGE18556E · 6PGE18556E
- Toxicity
- 5000 mg/kg · LDLo orl-rat: 5000 mg/kg AIPTAK 64,79,40
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LDLo orl-rat: 5000 mg/kg AIPTAK 64,79,40
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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