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(+)-Octopine
[CAS# 34522-32-2]

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Identification
Name (+)-Octopine
Synonyms 5-Guanidino-2-[(2-Hydroxy-1-Methyl-2-Oxo-Ethyl)Amino]Pentanoic Acid; 5-Guanidino-2-[(2-Hydroxy-1-Methyl-2-Oxoethyl)Amino]Pentanoic Acid; 5-Guanidino-2-[(2-Hydroxy-2-Keto-1-Methyl-Ethyl)Amino]Valeric Acid
Molecular Structure CAS#: 34522-32-2, (+)-Octopine
Molecular Formula C9H18N4O4
Molecular Weight 246.27
CAS Registry Number 34522-32-2
SMILES C(C(NC(C(=O)O)C)C(=O)O)CCN=C(N)N
InChI 1S/C9H18N4O4/c1-5(7(14)15)13-6(8(16)17)3-2-4-12-9(10)11/h5-6,13H,2-4H2,1H3,(H,14,15)(H,16,17)(H4,10,11,12)
InChIKey IMXSCCDUAFEIOE-UHFFFAOYSA-N
Properties
Density 1.459g/cm3 (Cal.)
Boiling point 526.371°C at 760 mmHg (Cal.)
Flash point 272.139°C (Cal.)
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