N-(Methoxycarbonyl)-L-valine
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N-(Methoxycarbonyl)-L-valine
structure -
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CAS No:
74761-42-5
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Formula:
C7H13NO4
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Chemical Name:
N-(Methoxycarbonyl)-L-valine
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Synonyms:
L-Valine,N-(methoxycarbonyl)-;Valine,N-carboxy-,N-methyl ester;N-(Methoxycarbonyl)-L-valine;(S)-2-(Methoxycarbonylamino)-3-methylbutanoic acid;(S)-2-Methoxycarbonylamino-3-methylbutyric acid;2-(S)-[(Methoxycarbonyl)amino]-3-methylbutyric acid;(2S)-2-(Methoxycarbonylamino)-3-methylbutanoic acid;2170464-63-6
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CAS No:
Characteristics
75.6
0.9
1.154±0.06 g/cm3
109.0 to 113.0 °C
144.9±23.2 °C
1.457
H2O: Sparingly soluble (30 g/L) (25 ºC)
Safety Information
P264, P280, P302+P352, P305+P351+P338, P310, P321, P332+P313, P362
H315
|Danger|H228 (12.5%): Flammable solid [Danger Flammable solids]|P210, P240, P241, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P405, and P501|Aggregated GHS information provided by 9 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:175.18
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:175.08445790
Monoisotopic Mass:175.08445790
Topological Polar Surface Area:75.6
Heavy Atom Count:12
Complexity:178
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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