Carbamic acid, (3-ethynylphenyl)-, 1,1-dimethylethyl ester (9CI)
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Carbamic acid, (3-ethynylphenyl)-, 1,1-dimethylethyl ester (9CI)
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CAS No:
185619-66-3
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Formula:
C13H15NO2
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Chemical Name:
Carbamic acid, (3-ethynylphenyl)-, 1,1-dimethylethyl ester (9CI)
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Synonyms:
tert-butyl 3-ethynylphenylcarbamate;tert-Butyl (3-ethynylphenyl)carbamate;Tert-butyl N-(3-ethynylphenyl)carbamate;N-Boc-3-ethynylaniline;Carbamic acid, (3-ethynylphenyl)-, 1,1-dimethylethyl ester (9CI);SCHEMBL835653;3-(N-boc-amino)phenylacetylene;CTK8D3857;DTXSID80460901;t-Butyl (3-ethynylphenyl)carbamate
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CAS No:
Carbamic acid, (3-ethynylphenyl)-, 1,1-dimethylethyl ester (9CI) Basic Attributes
217.26
217.110278721
DTXSID80460901
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, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:217.26
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:217.110278721
Monoisotopic Mass:217.110278721
Topological Polar Surface Area:38.3
Heavy Atom Count:16
Complexity:295
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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