2-[[[(1,1-Dimethylethoxy)carbonyl]amino]methyl]benzoic acid
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![2-[[[(1,1-Dimethylethoxy)carbonyl]amino]methyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/5436b879297d4ed9be4114087ed36c26.png "2-[[[(1,1-Dimethylethoxy)carbonyl]amino]methyl]benzoic acid")
2-[[[(1,1-Dimethylethoxy)carbonyl]amino]methyl]benzoic acid
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CAS No:
669713-61-5
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Formula:
C13H17NO4
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Chemical Name:
2-[[[(1,1-Dimethylethoxy)carbonyl]amino]methyl]benzoic acid
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Synonyms:
Benzoic acid,2-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-;2-[[[(1,1-Dimethylethoxy)carbonyl]amino]methyl]benzoic acid;2-[[(tert-Butoxycarbonyl)amino]methyl]benzoic acid;2-[(Boc-amino)methyl]benzoic acid
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CAS No:
2-[[[(1,1-Dimethylethoxy)carbonyl]amino]methyl]benzoic acid Basic Attributes
251.282
251.28
29225090
Safety Information
NONH for all modes of transport
3
36/37/38
26
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:251.28
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:251.11575802
Monoisotopic Mass:251.11575802
Topological Polar Surface Area:75.6
Heavy Atom Count:18
Complexity:309
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-[[[(1,1-Dimethylethoxy)carbonyl]amino]methyl]benzoic acid
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