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Ethanone, 2-[(1,1-dimethylethyl)(phenylmethyl)amino]-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-, hydrochloride (1:1)

Ethanone, 2-[(1,1-dimethylethyl)(phenylmethyl)amino]-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-, hydrochloride (1:1) structure

CAS No:
24085-08-3
Formula:
C20H25NO3.ClH
Chemical Name:
Ethanone, 2-[(1,1-dimethylethyl)(phenylmethyl)amino]-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-, hydrochloride (1:1)
Synonyms:
Ethanone,2-[(1,1-dimethylethyl)(phenylmethyl)amino]-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-,hydrochloride (1:1);Acetophenone,2-(benzyl-tert-butylamino)-4′-hydroxy-3′-(hydroxymethyl)-,hydrochloride;Ethanone,2-[(1,1-dimethylethyl)(phenylmethyl)amino]-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-,hydrochloride;2-(Benzyl-tert-butylamino)-4′-hydroxy-3′-hydroxymethylacetophenone hydrochloride;2-(Benzyl(tert-butyl)amino)-1-(4-hydroxy-3-(hydroxymethyl)phenyl)ethanone hydrochloride

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Ethanone, 2-[(1,1-dimethylethyl)(phenylmethyl)amino]-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-, hydrochloride (1:1) Basic Attributes

Molecular Weight：

363.87800

Exact Mass：

363.1601214 g/mol

EC Number：

246-014-2

DSSTox ID：

DTXSID00178814

Characteristics

PSA：

60.77000

XLogP3：

4.16990

Melting Point：

174 °C

Boiling Point：

466.3ºC at 760mmHg

Flash Point：

235.8ºC

Vapor Pressure：

2.57E-09mmHg at 25°C

Safety Information

GHS Classification：

|Danger|H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral]|P201, P202, P261, P264, P270, P272, P273, P280, P281, P285, P301+P310, P301+P312, P302+P352, P304+P341, P308+P313, P321, P330, P333+P313, P342+P311, P363, P405, and P501|Aggregated GHS information provided by 4 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:363.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:363.1601214
Monoisotopic Mass:363.1601214
Topological Polar Surface Area:60.8
Heavy Atom Count:25
Complexity:398
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of Ethanone, 2-[(1,1-dimethylethyl)(phenylmethyl)amino]-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-, hydrochloride (1:1)

Basic Attributes
Characteristics
Safety Information
Computed Properties
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