3-Aminoquinuclidine

HCID 123238CAS 6238-14-8
Substructure searchFind similar structures

Basic information

Standard SMILES
NC1CN2CCC1CC2
InChIKey
REUAXQZIRFXQML-UHFFFAOYSA-N
Molecular formula
C7H14N2
Average molar mass
126.2 g/mol
Monoisotopic mass
126.11569846

Names & identifiers

Preferred name
3-Aminoquinuclidine
IUPAC
1-azabicyclo[2.2.2]octan-3-amine
English name
3-Aminoquinuclidine
Molecular formula
C7H14N2
Molecular weight
126.2

Names & synonyms

3-Aminoquinuclidine6238-14-8RefChem:93007quinuclidin-3-amine1-azabicyclo[2.2.2]octan-3-amine1-aza-bicyclo[2.2.2]oct-3-ylamine3-Amino-1-azabicyclo[2.2.2]octane(1s,4s)-quinuclidin-3-amine1-Azabicyclo[2.2.2]oct-3-ylaminequinuclidine-3-ylamine781591-76-21-Azabicyclo(2.2.2)octan-3-amine
Show more names
（R）-1-Azabicyuclo[2.2.2] Octan-3-Amino
(S)-1-Aza-bicyclo[2.2.2]oct-3-ylamine(3S)-Aminoquinuclidine-D1Dihydrochloride3-amino quinuclidine3-amino-quinuclidineSCHEMBL260640SCHEMBL333973SCHEMBL1886047SCHEMBL9431600

Database identifiers

CAS
6238-14-8
PubChem CID
123238
DTXSID
DTXSID10869640
EC Number
813-787-8
Nikkaji
J365.207F

Properties

Computed structural properties

XLogP
-0.1
Topological polar surface area
29.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
9

Physicochemical properties

Melting point
218 · 218-220 °C
Boiling point
35 · 35-40 °C(Press: 0.3 Torr)
Density
1.06 · 1.06±0.1 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
10.58 · 10.58±0.33(Predicted)
NIST Chemistry Reference
3 · 3-Amino-1-azabicyclo[2.2.2]octane(6238-14-8)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory InformationStatus: Active Update: 16-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21939
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Regulatory information

Regulatory InformationStatus: Active Update: 16-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21939

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H319-H335-H315-H302
REACH Registrations
Active
Precautionary statements
P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Upstream & downstream products

Downstream products

Suppliers13 total

陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海威芬奇医药科技有限公司13817485796 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]

Related reactions

289 records
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Linked notes

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