3-Benzyl-3,8-diazabicyclo[3.2.1]octane dihydrochloride

Basic Information

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CAS Number

93428-54-7

Molecular Formula

C13H20Cl2N2

Molecular Weight

275.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

White to Yellow Solid

SMILES

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C1CC2CN(CC1N2)CC3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C13H18N2.2ClH/c1-2-4-11(5-3-1)8-15-9-12-6-7-13(10-15)14-12;;/h1-5,12-14H,6-10H2;2*1H/t12-,13+;;

InChIKey

KJUQKNNIOPKKTE-FQDOXHKTSA-N

LogP

2.4664

Topological Polar Surface Area

15.27 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

199

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

3-(Phenylmethyl)-3,8-diazabicyclo[3.2.1]octane dihydrochloride
3-Benzyl-3,8-diazabicyclo[3.2.1]octane dihydrochloride
3-BENZYL-3,8-DIAZABICYCLO[3.2.1]OCTANE 2HCL
F2196-0005
3,8-Diazabicyclo[3.2.1]octane, 3-(phenylmethyl)-, dihydrochloride (9CI)
3,8-Diazabicyclo[3.2.1]octane, 3-benzyl-, dihydrochloride (6CI, 7CI)
3-benzyl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride
3-benzyl-3,8-diazabicyclo[3.2.1]octane dihydrochloride
DTXSID60497952
(1R,5S)-3-BENZYL-3,8-DIAZABICYCLO[3.2.1]OCTANE DIHYDROCHLORIDE
AS-35700
3-(Phenylmethyl)-3,8-diazabicyclo[3.2.1]octane DiHCl
3-benzyl-3,8-diazabicyclo[3.2.1]octane,dihydrochloride
3,8-Diazabicyclo[3.2.1]octane, 3-(phenylmethyl)-, dihydrochloride
AB86244
93428-54-7
MFCD14279200
3-Benzyl-3,8-diazabicyclo[3.2.1]octane--hydrogen chloride (1/2)
AKOS015900905
EN300-297440
SY254125
SCHEMBL2100360
CS-0070268
3-(Phenylmethyl)-3,8-diazabicyclo[3.2.1]octanedihydrochloride
DB-079566
VU0490401-1

MDL Number

MFCD10699147

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 3-Benzyl-3,8-diazabicyclo[3.2.1]octane dihydrochloride (CAS: 93428-54-7)?

3-Benzyl-3,8-diazabicyclo[3.2.1]octane dihydrochloride (CAS: 93428-54-7) is subject to GHS classification, REACH regulations, and FDA/EPA requirements. It is classified as a hazardous substance due to its reactivity and should be handled according to specific safety data sheets (SDS) and material safety data sheets (MSDS).

Are there alternatives to 3-Benzyl-3,8-diazabicyclo[3.2.1]octane dihydrochloride (CAS: 93428-54-7) in synthesis?

Alternatives to 3-Benzyl-3,8-diazabicyclo[3.2.1]octane dihydrochloride include similar nitrogen-containing heterocycles such as 1,4-diazabicyclo[2.2.2]octane (DABCO) or other amine bases. In some cases, primary or secondary amines can be used as substitutes, depending on the specific reaction conditions and desired product.

What is the market or research trend for 3-Benzyl-3,8-diazabicyclo[3.2.1]octane dihydrochloride (CAS: 93428-54-7)?

Research trends for 3-Benzyl-3,8-diazabicyclo[3.2.1]octane dihydrochloride (CAS: 93428-54-7) are focused on its applications in drug discovery and medicinal chemistry. Market trends indicate increasing demand due to its role as a nucleophile in organic synthesis, particularly in the production of pharmaceuticals and agrochemicals. Emerging research is exploring its potential in catalysis and polymer chemistry.

How should waste containing 3-Benzyl-3,8-diazabicyclo[3.2.1]octane dihydrochloride (CAS: 93428-54-7) be handled?

Waste containing 3-Benzyl-3,8-diazabicyclo[3.2.1]octane dihydrochloride should be collected in appropriate containers and stored in a well-ventilated area. Neutralization or precipitation methods can be used to reduce the acidity before disposal. For larger quantities, professional waste disposal services should be contacted to ensure compliance with environmental regulations and safe disposal.