N-(4-Nitrobenzoyl)-β-alanine
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N-(4-Nitrobenzoyl)-β-alanine
structure -
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CAS No:
59642-21-6
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Formula:
C10H10N2O5
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Chemical Name:
N-(4-Nitrobenzoyl)-β-alanine
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Synonyms:
β-Alanine,N-(4-nitrobenzoyl)-;N-(4-Nitrobenzoyl)-β-alanine;3-[(4-Nitrophenyl)formamido]propanoic acid
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CAS No:
Safety Information
II
3
UN 3295 3/PG 2
3
R11:Highly Flammable. R36/37/38:Irritating to eyes, respiratory system and skin . R65:Harmful: May cause lung damage if swallowed.
S16-S26-S36-S62
F,Xn
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|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:238.20
XLogP3:0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:238.05897142
Monoisotopic Mass:238.05897142
Topological Polar Surface Area:112
Heavy Atom Count:17
Complexity:304
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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