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Benzeneethanol, 4-[1-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-1-methylethyl]-, 1-(4-methylbenzenesulfonate)

Benzeneethanol, 4-[1-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-1-methylethyl]-, 1-(4-methylbenzenesulfonate) structure

CAS No:
202189-76-2
Formula:
C23H29NO4S
Chemical Name:
Benzeneethanol, 4-[1-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-1-methylethyl]-, 1-(4-methylbenzenesulfonate)
Synonyms:
Benzeneethanol,4-[1-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-1-methylethyl]-,1-(4-methylbenzenesulfonate);Benzeneethanol,4-[1-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-1-methylethyl]-,4-methylbenzenesulfonate (ester);2-[4-[1-(4,4-Dimethyl-5H-oxazol-2-yl)-1-methylethyl]phenyl]ethyl 4-methylbenzenesulfonate;2157428-85-6
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Pharmaceutical Intermediates > Bulk Drug Intermediates

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Benzeneethanol, 4-[1-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-1-methylethyl]-, 1-(4-methylbenzenesulfonate) Basic Attributes

Molecular Weight：

415.54600

Exact Mass：

415.55

EC Number：

606-467-2

Characteristics

PSA：

73.34000

XLogP3：

4.94430

Density：

1.14g/cm3

Boiling Point：

545.1ºC at 760 mmHg

Flash Point：

283.5ºC

Refractive Index：

1.558

Vapor Pressure：

2.19E-11mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H302 (16.67%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P261, P264, P270, P271, P273, P280, P281, P301+P312, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:415.5
XLogP3:4.5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:415.18172958
Monoisotopic Mass:415.18172958
Topological Polar Surface Area:73.3
Heavy Atom Count:29
Complexity:676
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Benzeneethanol, 4-[1-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-1-methylethyl]-, 4-methylbenzenesulfonate (ester)

CAS No.: 202189-76-2

Content: 99.00%

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CAS No.: 202189-76-2

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Guide of Benzeneethanol, 4-[1-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-1-methylethyl]-, 1-(4-methylbenzenesulfonate)

Basic Attributes
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