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Basic Information
CAS No.: 157381-42-5
Name: (S)-2-Amino-2-methyl-4-phosphonobutanoic acid
Molecular Structure:
Molecular Structure of 157381-42-5 ((S)-2-Amino-2-methyl-4-phosphonobutanoic acid)
Formula: C5H12NO5P
Molecular Weight: 197.13
Synonyms: 4-Phosphono-L-isovaline;MAP4;a-Methyl-L-AP 4;
Density: 1.533 g/cm3
Boiling Point: 472.052 °C at 760 mmHg
Flash Point: 239.288 °C
Appearance: white solid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 130.66000
LogP: 0.05650
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Chemistry

Molecular Structure of (2S,3S,4S)-2-Methyl-2-(carboxycyclopropyl)glycine (157381-42-5):

IUPAC Name: (2S)-2-Azaniumyl-2-methyl-4-phosphonatobutanoate
Molecular Formula: C5H10NO5P
Molecular Weight: 195.110361 g/mol
XLogP3-AA: -4.2
H-Bond Donor: 1
H-Bond Acceptor: 5
Canonical SMILES: CC(CCP(=O)([O-])[O-])(C(=O)[O-])[NH3+]
Isomeric SMILES: C[C@](CCP(=O)([O-])[O-])(C(=O)[O-])[NH3+]
InChI: InChI=1S/C5H12NO5P/c1-5(6,4(7)8)2-3-12(9,10)11/h2-3,6H2,1H3,(H,7,8)(H2,9,10,11)/p-2/t5-/m0/s1
InChIKey: HONKEGXLWUDTCF-YFKPBYRVSA-L
Flash Point: 239.3 °C
Boiling Point: 472.1 °C at 760 mmHg
Enthalpy of Vaporization: 80.51 kJ/mol
Vapour Pressure: 3.25E-10 mmHg at 25 °C
Water Solubility: 4.36e+005 mg/L at 25 °C

Safety Profile

Safety Information of (2S,3S,4S)-2-Methyl-2-(carboxycyclopropyl)glycine (157381-42-5):
Hazard Codes: Xi
Risk Statements: 36/37/38
36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
WGK Germany: 3

Specification

   (2S,3S,4S)-2-Methyl-2-(carboxycyclopropyl)glycine (157381-42-5) is a kind of glutamate receptors with appearance of solid white. (2S,3S,4S)-2-Methyl-2-(carboxycyclopropyl)glycine (157381-42-5) is also known as Alpha-methyl-ap4 ; Alpha-methyl-l-ccg i ; a-Methyl-l-ccg 1 ; (2S,3S,4S)-Mccg ; (2S,3S,4S)-2-Methyl-2-(carboxycyclopropyl)glycine ; Mccg ; Map4 ; (S)-2-Amino-2-methyl-4-phosphonobutanoic acid .