N-(2-Carboxyethyl)-N-[(4-methylphenyl)sulfonyl]-β-alanine
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![N-(2-Carboxyethyl)-N-[(4-methylphenyl)sulfonyl]-β-alanine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/5a1192f992534f45a4b2151b0d299b55.png "N-(2-Carboxyethyl)-N-[(4-methylphenyl)sulfonyl]-β-alanine")
N-(2-Carboxyethyl)-N-[(4-methylphenyl)sulfonyl]-β-alanine
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CAS No:
5446-58-2
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Formula:
C13H17NO6S
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Chemical Name:
N-(2-Carboxyethyl)-N-[(4-methylphenyl)sulfonyl]-β-alanine
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Synonyms:
β-Alanine,N-(2-carboxyethyl)-N-[(4-methylphenyl)sulfonyl]-;Propionic acid,3,3′-[(p-tolylsulfonyl)imino]di-;N-(2-Carboxyethyl)-N-[(4-methylphenyl)sulfonyl]-β-alanine;NSC 17334
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CAS No:
N-(2-Carboxyethyl)-N-[(4-methylphenyl)sulfonyl]-β-alanine Basic Attributes
315.34200
315.34
226-660-1
17334
2935009090
Safety Information
R36/37/38
S26-S36
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 160 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:315.34
XLogP3:0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:315.07765844
Monoisotopic Mass:315.07765844
Topological Polar Surface Area:120
Heavy Atom Count:21
Complexity:444
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
N-(2-Carboxyethyl)-N-[(4-methylphenyl)sulfonyl]-β-alanine
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