2-PHTHALIMIDOPROPIONIC ACID
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2-PHTHALIMIDOPROPIONIC ACID
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CAS No:
19506-87-7
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Formula:
C11H9NO4
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Chemical Name:
2-PHTHALIMIDOPROPIONIC ACID
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Synonyms:
ASISCHEM C58433;IFLAB-BB F0827-0162;2-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-PROPIONIC ACID;AKOS BBS-00005713;AKOS AU36-M178;PHT-DL-ALA-OH;OTAVA-BB BB7217300162;TOSLAB 836895
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CAS No:
2-PHTHALIMIDOPROPIONIC ACID Basic Attributes
219.19
219.19
243-117-4
236670|13404
White to Almost white
2933998090
Characteristics
74.7 Ų
1.467±0.06 g/cm3(Predicted)
155-157°C
407.9±28.0 °C(Predicted)
3+-.0.10(Predicted)
Sealed in dry,2-8°C
Safety Information
6.1
UN2811
|Danger|H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, 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.|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 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-PHTHALIMIDOPROPIONIC ACID Use and Manufacturing
N-Phthalyl-alanine is used in the preparation of endothiopeptide inhibitors of HIV-1 Protease.
Computed Properties
Molecular Weight:219.19
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:219.05315777
Monoisotopic Mass:219.05315777
Topological Polar Surface Area:74.7
Heavy Atom Count:16
Complexity:328
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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