(S)-(-)-3-Aminoquinuclidine dihydrochloride

• CAS: 119904-90-4
• Catalog Number: ACM119904904
• Category: Organic Phosphine Compounds
• Molecular Weight: 199.12
• Molecular Formula: C₇H₁₆Cl₂N₂
• Synonyms: (S)-(-)-3-Aminoquinuclidine Dihydrochloride; (S)-(−)-3-Aminoquinuclidine dihydrochloride; (S)-(-)-3-Amino-1-azabicyclo[2.2.2]octane Dihydrochloride; (3S)-1-azabicyclo[2.2.2]octan-3-amine,dihydrochloride; (S)-3-Aminoquinuclidine dihydrochloride; (S)-Quinuclidin-3-amine dihydrochloride
• IUPAC Name: (3S)-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride
• Canonical SMILES: C1CN2CCC1C(C2)N.Cl.Cl
• InChI Key: STZHBULOYDCZET-XCUBXKJBSA-N
• Boiling Point: 470.4ºC at 760mmHg
• Melting Point: 260ºC
• Flash Point: 209.5ºC
• Density: 1.24g/cm³
• EC Number: 601-641-4
• Exact Mass: 198.06900
• Hazard Statements: Xi: Irritant
• Safety Description: S26-S36
• WGK Germany: 3

Custom Q&A

What is the PubChem CID of (S)-(-)-3-Aminoquinuclidine dihydrochloride?

The PubChem CID of (S)-(-)-3-Aminoquinuclidine dihydrochloride is 12494973.

What is the molecular formula of (S)-(-)-3-Aminoquinuclidine dihydrochloride?

The molecular formula of (S)-(-)-3-Aminoquinuclidine dihydrochloride is C7H16Cl2N2.

What is the molecular weight of (S)-(-)-3-Aminoquinuclidine dihydrochloride?

The molecular weight of (S)-(-)-3-Aminoquinuclidine dihydrochloride is 199.12 g/mol.

What is the IUPAC name of (S)-(-)-3-Aminoquinuclidine dihydrochloride?

The IUPAC name of (S)-(-)-3-Aminoquinuclidine dihydrochloride is (3S)-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride.

What is the InChI of (S)-(-)-3-Aminoquinuclidine dihydrochloride?

The InChI of (S)-(-)-3-Aminoquinuclidine dihydrochloride is InChI=1S/C7H14N2.2ClH/c8-7-5-9-3-1-6(7)2-4-9;;/h6-7H,1-5,8H2;2*1H/t7-;;/m1../s1.

What is the InChIKey of (S)-(-)-3-Aminoquinuclidine dihydrochloride?

The InChIKey of (S)-(-)-3-Aminoquinuclidine dihydrochloride is STZHBULOYDCZET-XCUBXKJBSA-N.

What is the canonical SMILES of (S)-(-)-3-Aminoquinuclidine dihydrochloride?

The canonical SMILES of (S)-(-)-3-Aminoquinuclidine dihydrochloride is C1CN2CCC1C(C2)N.Cl.Cl.

What is the hydrogen bond donor count of (S)-(-)-3-Aminoquinuclidine dihydrochloride?

The hydrogen bond donor count of (S)-(-)-3-Aminoquinuclidine dihydrochloride is 3.

What is the hydrogen bond acceptor count of (S)-(-)-3-Aminoquinuclidine dihydrochloride?

The hydrogen bond acceptor count of (S)-(-)-3-Aminoquinuclidine dihydrochloride is 2.

Is (S)-(-)-3-Aminoquinuclidine dihydrochloride canonicalized?

Yes, (S)-(-)-3-Aminoquinuclidine dihydrochloride is canonicalized.

Synthetic Use

Downstream Synthesis Route 1

• 119904-90-4
• 50341-99-6

• 177793-79-2

Reference: [1]Current Patent Assignee: KUNMING JIDA PHARMACEUTICAL CO., LTD. - CN103183670, 2017, B
Location in patent: Paragraph 0035-0036

Downstream Synthesis Route 2

• 119904-90-4
• 1207878-52-1

• 177793-79-2

Reference: [1]Current Patent Assignee: SHANGHAI BOCIMED PHARMACEUTICAL CO LTD - CN108178756, 2018, A
Location in patent: Paragraph 0101; 0102

Downstream Synthesis Route 3

• 85977-52-2
• 119904-90-4

• 177793-79-2

Reference: [1]Current Patent Assignee: KUNMING YUANRUI PHARMACEUTICAL - CN108084176, 2018, A
Location in patent: Paragraph 0095; 0105; 0106; 0107; 0108

* For details of the synthesis route, please refer to the original source to ensure accuracy.