Molecule structure of Monoammonium glutamate monohydrate (CAS NO.139883-82-2):
IUPAC Name: Azanium (4S)-4-amino-5-hydroxy-5-oxopentanoate hydrate
Molecular Weight: 182.17506 g/mol
Molecular Formula: C5H14N2O5
Boiling Point: 333.8 °C at 760 mmHg
Flash Point: 155.7 °C
Enthalpy of Vaporization: 63.39 kJ/mol
Vapour Pressure: 2.55E-05 mmHg at 25 °C
H-Bond Donor: 4
H-Bond Acceptor: 6
Rotatable Bond Count: 3
Exact Mass: 182.090272
MonoIsotopic Mass: 182.090272
Topological Polar Surface Area: 105
Heavy Atom Count: 12
Complexity: 139
Defined Atom StereoCenter Count: 1
Canonical SMILES: C(CC(=O)[O-])C(C(=O)O)N.[NH4+].O
Isomeric SMILES: C(CC(=O)[O-])[C@@H](C(=O)O)N.[NH4+].O
InChI: InChI=1S/C5H9NO4.H3N.H2O/c6-3(5(9)10)1-2-4(7)8;;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H3;1H2/t3-;;/m0../s1
InChIKey of Monoammonium glutamate monohydrate (CAS NO.139883-82-2): ZMCBEVWKPOJRPQ-QTNFYWBSSA-N
1. | orl-rat LD50:8300 mg/kg | IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. 21 (1990),257. | ||
2. | orl-mus LD50:5900 mg/kg | IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. 21 (1990),257. |
Low toxicity by ingestion. When heated to decomposition it emits toxic vapors of NOx and Cl−.
Monoammonium glutamate monohydrate (CAS NO.139883-82-2) is also named as CCRIS 4214 ; Glutamic acid, monoammonium salt, monohydrate, L- ; Monoammonium L-glutamate monohydrate ; L-Glutamic acid, monoammonium salt, monohydrate .
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