(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

HCID 11008150CAS 76272-41-8
Substructure searchFind similar structures

Basic information

Standard SMILES
CN1[C@@H]2CCC[C@H]1CC(N)C2
InChIKey
HTZWHTQVHWHSHN-CBLAIPOGSA-N
Molecular formula
C9H18N2
Average molar mass
154.25 g/mol

Names & identifiers

Preferred name
(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
IUPAC
(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
English name
Exo-3-Amino-9-methyl-9-azabicyclo[3,3,1]nonane
Molecular formula
C9H18N2
Molecular weight
154.25

Names & synonyms

76272-56-5(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine(1R,5S)-9-methyl-9-azabicyclo(3.3.1)nonan-3-amineRefChem:393525836-871-6endo-3-amine-9-methyl-9-azabicyclo[3,3,1]nonane76272-41-8Granisetron EP Impurity E(1r,3r,5s)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amineEXO-3-AMINO-9-METHYL-9-AZABICYCLO[3,3,1]NONANEEndo-3-amino-9-methyl-9-azabicyclo[3.3.1]nonane(3-exo)-9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine
Show more names
Granisetron Impurity 20exo-3-AMino-9-Methyl-9-az...exo-3-Amino-9-methyl-9-azabicycloexo-3-Amino-9-methyl-9-azabicyclo[3,3,1]nonaexo-9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine(1R,3S,5S)-9-METHYL-9-AZABICYCLO[3.3.1]NONAN-3-AMINE9-Azabicyclo[3.3.1]nonan-3-amine, 9-methyl-, (3-exo)-rel-(1R,3s,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
MFCD07374273MFCD12198832Endo-9-Methyl-9-azabicyclo[3,3,1]nonan-3-amineEndo-9-methyl-9-azabicyclo[3.3.1]nonan-3-amineexo-3-amino-9-methyl-9-azabicyclo[3.3.1]nonane(3-ENDO)-9-METHYL-9-AZABICYCLO[3.3.1]NONAN-3-AMINEendo-3-Amino-9-methyl-9-azabicyclo[3,3,1]nonaneEndo-3-Amine-9-Methyl-9-Azabicyclo[3,3,1]Nonan

Database identifiers

CAS
76272-41-8、76272-56-5
PubChem CID
11008150
DTXSID
DTXSID201381544
EC Number
836-871-6

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
29.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
11

Physicochemical properties

Boiling point
200.9 · 200.9±8.0 °C(Predicted)
Density
0.968 · 0.968±0.06 g/cm3(Predicted)
storage temp.
Refrigerator, under inert atmosphere
solubility
DMSO (Slightly), Methanol (Slightly)
form
Oil
pka
11.09 · 11.09±0.40(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Applications

UsesExo-3-amino-9-methyl-9-azabicyclo[3,3,1]nonane is used as a reagent to prepare 2,3-dihydro-2-oxo-1H-benzimidazole-1-carboxylic acid derivatives as highly potent 5-HT3 receptor antagonists.

Suppliers50 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
天津始加生物医药科技有限公司15022261580 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]

Related reactions

1 records
New reaction record

Linked notes

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