3-Aminoquinuclidine dihydrochloride supplier

Name
3-Aminoquinuclidine dihydrochloride
EINECS 229-424-6
CAS No. 6530-09-2
Article Data10
CAS DataBase
Density 1.06 g/cm3
Solubility
Melting Point 321-323 °C (dec.)(lit.)
Formula C₇H₁₄N₂^.2(HCl)
Boiling Point 165.9 °C at 760 mmHg
Molecular Weight 199.123
Flash Point 51.1 °C
Transport Information
Appearance off-white solid
Safety 22-24/25
Risk Codes 36/37/38-22
Molecular Structure
Hazard Symbols Xn; Xi
Synonyms 1-Azabicyclo[2.2.2]octan-3-amine,dihydrochloride (9CI);Quinuclidine, 3-amino-, dihydrochloride (7CI,8CI);1-Azabicyclo[2.2.2]oct-3-ylamine dihydrochloride;3-Amino-1-azabicyclo[2.2.2]octane dihydrochloride;3-Aminoquinuclidinedihydrochloride;NSC 93906;
PSA 29.26000
LogP 2.28150

3-Aminoquinuclidine dihydrochloride Specification

The 3-Aminoquinuclidine dihydrochloride, with its cas register number 6530-09-2, has the IUPAC name of 1-azabicyclo[2.2.2]octan-3-amine dihydrochloride. And this is a kind of white to almost white powder, and it is usually used in the pharmaceutic intermediate, such as the intermediate of Azasetron which is a kind of anticancer drugs. Besides, its product categories are various, including amines; ring systems; building blocks; heterocyclic building blocks; quinuclidines

The characteristics of this chemical are as following: (1)H-Bond Donor: 3; (2)H-Bond Acceptor: 2; (3)Exact Mass: 198.069054; (4)MonoIsotopic Mass: 198.069054; (5)Topological Polar Surface Area: 29.3; (6)Heavy Atom Count: 11; (7)Complexity: 106; (8)Undefined Atom Stereo Center Count: 1; (9)Covalently-Bonded Unit Count: 3.

When you are dealing with this chemical, you should be very cautious. This chemical is harmful, and it may cause inflammation to the skin or other mucous membranes, and may even cause damage to health. Besides, it is irritating to eyes, respiratory system and skin. So while using, take the following instructions. Do not breathe dust, and avoid contacting with skin and eyes. You could also go to WGK Germany 3 to obtain more safety information.

Additionally, you could obtain the molecular structure through converting the following datas:
Canonical SMILES: C1CN2CCC1C(C2)N.Cl.Cl
InChI: InChI=1S/C7H14N2.2ClH/c8-7-5-9-3-1-6(7)2-4-9;;/h6-7H,1-5,8H2;2*1H
InChIKey: STZHBULOYDCZET-UHFFFAOYSA-N

Below are the toxicity information of this chemical:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	180mg/kg (180mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03402

Product Name

3-Aminoquinuclidine dihydrochloride

3-Aminoquinuclidine dihydrochloride Specification

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