DL-Isovaline
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DL-Isovaline
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CAS No:
595-39-1
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Formula:
C5H11NO2
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Chemical Name:
DL-Isovaline
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Synonyms:
Isovaline;DL-Isovaline;dl-2-Amino-2-methylbutyric acid;DL-α-Ethylalanine;DL-α-Amino-α-methylbutyric acid;Alanine,2-ethyl-;2-Amino-2-methylbutanoic acid;2-Amino-2-methylbutyric acid;2-Azaniumyl-2-methylbutanoate;465-58-7
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CAS No:
Characteristics
63.32000
0.20
1.1±0.1 g/cm3
316.5 °C
170-175 °C @ Press: 15 Torr
83.0±22.6 °C
1.466
280.9g/L(20 ºC)
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:117.15
XLogP3:-2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:117.078978594
Monoisotopic Mass:117.078978594
Topological Polar Surface Area:63.3
Heavy Atom Count:8
Complexity:103
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes