3-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid
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![3-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a76d1cfcd75d48279004fbdfbd3d14df.png "3-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid")
3-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid
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CAS No:
500013-38-7
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Formula:
C17H24N2O4
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Chemical Name:
3-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid
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Synonyms:
1-(3-carboxyphenylmethyl)-4-Boc piperazine; N4-BOC-3-[(PIPERAZIN-1-YL)METHYL]BENZOIC ACID; tert-Butyl 4-(3-carboxybenzyl)piperazine-1-carboxylate; 3-(4-N-Boc-Piperazin-1-yl)methylbenzoic acid; 3-((4-(tert-Butoxycarbonyl)piperazin-1-yl)methyl)benzoic acid; 1-(tert-Butoxycarbonyl)-4-(3-carboxybenzyl)piperazine;Expand
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CAS No:
3-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid Basic Attributes
320.38300
320.17360725
DTXSID20383741
2933599090
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:320.4
XLogP3:-0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:320.17360725
Monoisotopic Mass:320.17360725
Topological Polar Surface Area:70.1
Heavy Atom Count:23
Complexity:425
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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