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Dibenzo[b,f][1,4]thiazepine, 11-(1-piperazinyl)-, hydrochloride (1:2)

Dibenzo[b,f][1,4]thiazepine, 11-(1-piperazinyl)-, hydrochloride (1:2) structure

CAS No:
111974-74-4
Formula:
C17H17N3S.2ClH
Chemical Name:
Dibenzo[b,f][1,4]thiazepine, 11-(1-piperazinyl)-, hydrochloride (1:2)
Synonyms:
Dibenzo[b,f][1,4]thiazepine,11-(1-piperazinyl)-,hydrochloride (1:2);Dibenzo[b,f][1,4]thiazepine,11-(1-piperazinyl)-,dihydrochloride;11-Piperazinodibenzo[b,f][1,4]thiazepine dihydrochloride;11-(1-Piperazinyl)-dibenzo[b,f][1,4]thiazepine dihydrochloride;11-Piperazin-1-yl-dibenzo[b,f][1,4]thiazepine dihydrochloride
Categories:
Chemical Reagents > Organic Reagents

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Dibenzo[b,f][1,4]thiazepine, 11-(1-piperazinyl)-, hydrochloride (1:2) Basic Attributes

Molecular Weight：

368.32386

Exact Mass：

367.067688

EC Number：

1312995-182-4

UNII：

7VJ4TC63IL

DSSTox ID：

DTXSID60600505

HScode：

2934999090

Characteristics

PSA：

52.9

Melting Point：

180-184°C

Boiling Point：

513.3°C at 760 mmHg

Flash Point：

264.3ºC

Storage Conditions：

-20°C Freezer

Safety Information

Transport codes：

NONH for all modes of transport

Precautionary statement(s)：

P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P322, P330, P332+P313, P337+P313, P363, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (83.33%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P322, P330, P332+P313, P337+P313, P363, and P501|Aggregated GHS information provided by 8 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Dibenzo[b,f][1,4]thiazepine, 11-(1-piperazinyl)-, hydrochloride (1:2) Use and Manufacturing

A metabolite of Quetiapine, a Benzothiazepine with mixed serotonin and dopamine receptor antagonistic properties used as an antipsychotic

Computed Properties

Molecular Weight:368.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:367.0676742
Monoisotopic Mass:367.0676742
Topological Polar Surface Area:52.9
Heavy Atom Count:23
Complexity:392
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

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11-Piperazinodibenzo[b,f][1,4]thiazepine dihydrochloride

CAS No.: 111974-74-4

Content: 99.00%

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Guide of Dibenzo[b,f][1,4]thiazepine, 11-(1-piperazinyl)-, hydrochloride (1:2)

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
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Dibenzo[b,f][1,4]thiazepine, 11-(1-piperazinyl)-, hydrochloride (1:2)

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