Ammonium 5-(L-gamma-glutamylamino)-2-nitrobenzoate

Basic Information

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CAS Number

63699-78-5

Molecular Formula

C12H16N4O7

Molecular Weight

311.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

187ºC ± 2.0ºC

Boiling Point

718.3°C at 760 mmHg

Flash Point

368.5 °C

Solubility

H2O: 100 mg/mL, clear, yellow-green

SMILES

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O=C([O-])C1=CC(NC(CC[C@H](N)C(O)=O)=O)=CC=C1[N+]([O-])=O.[NH4+]

InChI

InChI=1S/C12H13N3O7.H3N/c13-8(12(19)20)2-4-10(16)14-6-1-3-9(15(21)22)7(5-6)11(17)18;/h1,3,5,8H,2,4,13H2,(H,14,16)(H,17,18)(H,19,20);1H3/t8-;/m0./s1

InChIKey

GFABNNMTRVBLPZ-QRPNPIFTSA-N

LogP

2.04400

Complexity

457

Synonyms & References

English

Ammonium (S)-5-(4-amino-4-carboxybutanamido)-2-nitrobenzoate
azanium,5-[[(4S)-4-amino-4-carboxybutanoyl]amino]-2-nitrobenzoate
Benzoic acid,5-[(4-amino-4-carboxy-1-oxobutyl)amino]-2-nitro-, monoammonium salt, (S)- (9CI)
H-L-Glu(3CNA)-OH*NH3
AK-90093
ANW-65601
CTK8C0976
KB-250653
MolPort-006-133-067
GGTP
γ-GT

MDL Number

MFCD00058243

FAQ

What are the physical and chemical properties of Ammonium 5-(L-gamma-glutamylamino)-2-nitrobenzoate (CAS: 63699-78-5)?

Ammonium 5-(L-gamma-glutamylamino)-2-nitrobenzoate (CAS: 63699-78-5) is a solid with a crystalline form. Its molecular weight is approximately 358.43 g/mol. It has a moderate solubility in water and is less soluble in organic solvents. The compound is reactive towards nucleophiles and can undergo substitution reactions. It is stable under normal conditions but should be stored away from moisture and heat.

How is Ammonium 5-(L-gamma-glutamylamino)-2-nitrobenzoate (CAS: 63699-78-5) typically synthesized?

Ammonium 5-(L-gamma-glutamylamino)-2-nitrobenzoate (CAS: 63699-78-5) can be synthesized via the coupling of 2-nitrobenzoic acid and L-glutamic acid in the presence of a coupling reagent such as 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride (EDC) and N-hydroxysuccinimide (NHS). The reaction typically yields a product with high selectivity and good yield under mild conditions.

What industries use Ammonium 5-(L-gamma-glutamylamino)-2-nitrobenzoate (CAS: 63699-78-5)?

Ammonium 5-(L-gamma-glutamylamino)-2-nitrobenzoate (CAS: 63699-78-5) is primarily used in the pharmaceutical industry for its role as an intermediate in the synthesis of various drugs. It may also find applications in the sensor and semiconductor industries due to its functional groups that can be used for specific chemical reactions.

What precautions should be taken when handling Ammonium 5-(L-gamma-glutamylamino)-2-nitrobenzoate (CAS: 63699-78-5)?

When handling Ammonium 5-(L-gamma-glutamylamino)-2-nitrobenzoate (CAS: 63699-78-5), it is recommended to use appropriate personal protective equipment (PPE), including gloves and safety glasses. The compound should be handled in a well-ventilated area or fume hood to avoid inhalation. Spills should be cleaned up immediately using appropriate spill cleanup methods. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.