Methyl pyroglutamate
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Methyl pyroglutamate
structure -
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CAS No:
4931-66-2
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Formula:
C6H9NO3
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Chemical Name:
Methyl pyroglutamate
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Synonyms:
L-Proline,5-oxo-,methyl ester;Pyroglutamic acid,methyl ester,L-;Methyl pyroglutamate;(S)-5-(Methoxycarbonyl)-2-pyrrolidone;L-Pyroglutamic acid methyl ester;Methyl (S)-pyroglutamate;5-Oxo-L-proline methyl ester;Methyl L-pyroglutamate;Pyroglutamic acid methyl ester;(S)-5-(Methoxycarbonyl)-2-pyrrolidinone;Methyl N-BOC-(S)-pyroglutamate;L-5-Oxoproline methyl ester;Methyl (S)-(+)-2-oxopyrrolidine-5-carboxylate;(2S)-5-Oxopyrrolidine-2-carboxylic acid methyl ester;Methyl (S)-2-oxopyrrolidine-5-carboxylate;(S)-Methyl 5-oxopyrrolidine-2-carboxylate;Methyl 5-oxo-L-proline;Methyl (2S)-5-oxopyrrolidine-2-carboxylate;53931-79-6
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CAS No:
Characteristics
55.4
-0.4
Pale yellow Liquid
1.2±0.1 g/cm3
127-130 °C @ Press: 2 Torr
>110°C
1.465
Store at 0-5°C
10.5 º (c=1, EtOH)
Safety Information
NONH for all modes of transport
3
36/37/38
26-36
Xi
P261-P305 + P351 + P338
H315-H319-H335
|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 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:143.14
XLogP3:-0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:143.058243149
Monoisotopic Mass:143.058243149
Topological Polar Surface Area:55.4
Heavy Atom Count:10
Complexity:166
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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