4-(1,1-Dimethylethyl) hydrogen L-aspartate
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4-(1,1-Dimethylethyl) hydrogen L-aspartate
structure -
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CAS No:
3057-74-7
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Formula:
C8H15NO4
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Chemical Name:
4-(1,1-Dimethylethyl) hydrogen L-aspartate
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Synonyms:
L-Aspartic acid,4-(1,1-dimethylethyl) ester;Aspartic acid,4-tert-butyl ester;4-(1,1-Dimethylethyl) hydrogen L-aspartate;L-Aspartic acid 4-tert-butyl ester;β-tert-Butyl L-aspartate;β-tert-Butyl aspartate;Aspartic acid β-tert-butyl ester;L-Aspartic acid β-tert-butyl ester;(S)-2-Amino-4-tert-butoxy-4-oxobutanoic acid;(2S)-2-Amino-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;(2S)-2-Amino-4-(tert-butoxy)-4-oxobutanoic acid;688788-93-4;166194-54-3
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CAS No:
4-(1,1-Dimethylethyl) hydrogen L-aspartate Basic Attributes
189.21
189.21
221-292-8
DTXSID40184656
2922509090
Characteristics
89.6
-1.4
White powder
1.2±0.1 g/cm3
189-190 °C @ Solvent: Methanol, Diethyl ether
318.7°C at 760 mmHg
146.5±26.5 °C
1.476
2-8°C
Safety Information
NONH for all modes of transport
3
36/37/38
22-24/25-44-35-28-7-4
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:189.21
XLogP3:-1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:189.10010796
Monoisotopic Mass:189.10010796
Topological Polar Surface Area:89.6
Heavy Atom Count:13
Complexity:207
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-(1,1-Dimethylethyl) hydrogen L-aspartate
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