9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine dihydrochloride

Basic Information

View in Editor

CAS Number

135906-03-5

Molecular Formula

C9H20Cl2N2

Molecular Weight

227.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

294.6°C at 760 mmHg

Flash Point

132℃

SMILES

View in Editor

CN1C2CCCC1CC(C2)N.Cl.Cl

InChI

InChI=1S/C9H18N2.2ClH/c1-11-8-3-2-4-9(11)6-7(10)5-8;;/h7-9H,2-6,10H2,1H3;2*1H

InChIKey

ZYQLBGNYBPWAFH-UHFFFAOYSA-N

LogP

1.8040000000000003

Topological Polar Surface Area

29.259999999999998 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

133

Safety Information

View Safety Information

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

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

rel-(1R,3r,5S)-9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine dihydrochloride
AKOS025311002
MFCD09750974
135906-03-5
(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride
9-Azabicyclo[3.3.1]nonan-3-amine,9-methyl-, hydrochloride (1:2), (3-endo)-
(1R,3r,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine dihydrochloride
SCHEMBL703780
AC2193
EXO-3-AMINO-9-METHYL-9-AZABICYCLO[3.3.1]NONANEDIHYDROCHLORIDE
endo-3-Amino-9-methyl-9-azabicyclo[3,3,1]nonane diHCl
BCP17124
Endo-9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine dihydrochloride
2118954-10-0
MFCD12198903
Endo-3-amine-9-methyl-9-azabicyclo[3,3,1]nonane dihydrochloride
DS-11627
EXO-3-AMINO-9-METHYL-9-AZABICYCLO[3.3.1]NONANE DIHYDROCHLORIDE
rel-(1R,5S)-9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine dihydrochloride
Endo-3-amine-9-methyl-9-azabicyclo[3,3,1]nonane DiHCl
Exo-3-amino-9-methyl-9-azabicyclo[3.3.1]nonane DiHCl
ENDO-3-AMINE -9-METHYL-9-AZABICYCLO3,3,1NONANE 2HCL
Endo-3-amino-9-methyl-9-azabicyclo[3,3,1]nonanedihydrochloride
9-Azabicyclo[3.3.1]nonan-3-amine, 9-methyl-, hydrochloride (1:2), (3-endo)-
9-methyl-9-azabicyclo[3.3.1]nonan-3-amine,dihydrochloride
AC-1976
Endo-3-amine-9-methyl-9-azabicyclo[3,3,1]nonane 2HCl
Endo-3-amine-9-methyl-9-azabicyclo[3,3,1]nonane hydrochloride
9-Azabicyclo[3.3.1]nonan-3-amine,9-methyl-, dihydrochloride, endo- (9CI)
endo-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride

MDL Number

MFCD09750974

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine dihydrochloride (CAS: 135906-03-5)?

9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine dihydrochloride is a white crystalline powder with a molecular weight of 297.68 g/mol. It has a pKa of 3.2 and is highly soluble in water. It is not readily reactive but can undergo protonation and substitution reactions. It has good solubility in common organic solvents like ethanol and dimethylformamide.

How is 9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine dihydrochloride (CAS: 135906-03-5) typically synthesized?

9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine dihydrochloride is typically synthesized by the condensation of 9-azabicyclo[3.3.1]nonan-3-one with methylamine followed by hydrochlorination. The reaction is carried out under mild conditions using a catalytic amount of a Lewis acid, and the product is isolated by crystallization from water or organic solvents.

What industries use 9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine dihydrochloride (CAS: 135906-03-5)?

9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine dihydrochloride is used in the pharmaceutical industry as a precursor for the synthesis of other compounds. It is also utilized in the polymer industry for the modification of polymer properties and in the sensor industry for the development of gas-sensing materials.

What precautions should be taken when handling 9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine dihydrochloride (CAS: 135906-03-5)?

When handling 9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine dihydrochloride, it is important to use appropriate personal protective equipment (PPE) such as gloves and goggles. The compound should be handled in a well-ventilated area or a fume hood to prevent inhalation. Spills should be cleaned up immediately using appropriate absorbent materials and the area should be well-ventilated. Always refer to the safety data sheet (SDS) for detailed handling and storage instructions.