N-(2-Chloroacetyl)-L-valine
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N-(2-Chloroacetyl)-L-valine
structure -
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CAS No:
2279-16-5
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Formula:
C7H12ClNO3
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Chemical Name:
N-(2-Chloroacetyl)-L-valine
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Synonyms:
L-Valine,N-(2-chloroacetyl)-;Valine,N-(chloroacetyl)-,L-;L-Valine,N-(chloroacetyl)-;N-(2-Chloroacetyl)-L-valine;N-Chloroacetyl-L-valine;NSC 97928;(2S)-2-(2-Chloroacetamido)-3-methylbutanoic acid;(S)-2-(2-Chloroacetamido)-3-methylbutanoic acid;(2S)-2-[(2-Chloroacetyl)amino]-3-methyl-butanoic acid
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CAS No:
Characteristics
66.4
0.84150
1.235g/cm3
128-130 °C
394.4ºC at 760mmHg
192.3ºC
1.478
−20°C
2.54E-07mmHg at 25°C
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:193.63
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:193.0505709
Monoisotopic Mass:193.0505709
Topological Polar Surface Area:66.4
Heavy Atom Count:12
Complexity:182
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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