ChemicalBook--->CAS DataBase List--->7685-44-1

7685-44-1

7685-44-1 Structure

7685-44-1 Structure
IdentificationMore
[Name]

DL-2-AMINO-4-PENTENOIC ACID
[CAS]

7685-44-1
[Synonyms]

2-AMINO-4-PENTENOIC ACID
DL-2-ALLYL GLYCINE
DL-2-AMINO-4-PENTENOIC ACID
DL-ALLYLGLYCINE
DL-C-ALLYLGLYCINE
H-ALLYL-DL-GLYCINE
H-DL-GLY(ALLYL)-OH
4-Pentenoic acid, 2-amino-, (.+/-.)-
dl-2-Amino-1-pentenoic acid
DL-2-aminopent-4-enoic acid
DL-Allylglycine 2-Amino-4-pentenoic acid
ALLYLGLYCINE[ALLYGLY]
(+/-)-2-AMINO-4-PENTENOIC ACID BIOCHEMIKA
2-Amino-4-pentanoic acid
2-Aminopent-4-enoic acid
C-allylglycine
(±)-2-Amino-4-pentenoic acid, DL-C-Allylglycine
rac-(2R*)-2-Amino-4-pentenoic acid
rac-(R*)-2-Allylglycine
[EINECS(EC#)]

231-689-8
[Molecular Formula]

C5H9NO2
[MDL Number]

MFCD00063103
[Molecular Weight]

115.13
[MOL File]

7685-44-1.mol
Chemical PropertiesBack Directory
[Appearance]

white crystalline powder
[Melting point ]

258-260 °C(lit.)
[Boiling point ]

215.41°C (rough estimate)
[density ]

1.1808 (rough estimate)
[refractive index ]

1.4538 (estimate)
[storage temp. ]

2-8°C
[Water Solubility ]

Soluble in water
[form ]

Crystalline Powder
[pka]

2.22±0.10(Predicted)
[color ]

White
[BRN ]

1748645
[Major Application]

peptide synthesis
[InChI]

InChI=1S/C5H9NO2/c1-2-3-4(6)5(7)8/h2,4H,1,3,6H2,(H,7,8)
[InChIKey]

WNNNWFKQCKFSDK-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C(N)CC=C
[CAS DataBase Reference]

7685-44-1(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H317-H319-H335
[Precautionary statements ]

P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R43:May cause sensitization by skin contact.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[HS Code ]

29224999
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
Skin Sens. 1
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

white crystalline powder
[Uses]

peptide synthesis
[Biochem/physiol Actions]

DL-2-Allylglycine is a racemic mixture of L- and D-allylglycine. D-allylglycine is the enantiomer of L-allylglycine, a glutamate decarboxylase (GAD) inhibitor used in GABA research. D-allylglycine may be used as a control supplement versus L-allylglycine in GABA research. D-allylglycine is used in the organic synthesis of cyclic opioid peptide agonists and antagonists.
[Purification Methods]

Dissolve it in absolute EtOH and precipitate it with pyridine, then recrystallise it from aqueous EtOH [RF on paper in BuOH/EtOH/NH3/H2O (4:4:1:1:) is 0.37]. The hydrobromide has m 136-140o (from EtOAc) and the phenylureido derivative has m 159-161o. [Schgl Monatsh Chem 89 377 1958, Beilstein 4 IV 2852.]
Spectrum DetailBack Directory
[Spectrum Detail]

DL-2-AMINO-4-PENTENOIC ACID(7685-44-1)MS
DL-2-AMINO-4-PENTENOIC ACID(7685-44-1)1HNMR
DL-2-AMINO-4-PENTENOIC ACID(7685-44-1)13CNMR
DL-2-AMINO-4-PENTENOIC ACID(7685-44-1)IR1
DL-2-AMINO-4-PENTENOIC ACID(7685-44-1)IR2
DL-2-AMINO-4-PENTENOIC ACID(7685-44-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

DL-2-Amino-4-pentenoic acid, 99%(7685-44-1)
[Sigma Aldrich]

7685-44-1(sigmaaldrich)
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