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Search term: STZHBULOYDCZET-UHFFFAOYAP
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Inherent Properties, Identifiers and References
ChemSpider ID: 171250
Empirical Formula: C7H16Cl2N2
Molecular Weight: 199.1213
Nominal Mass: 198 Da
Average Mass: 199.1213 Da
Monoisotopic Mass: 198.069054 Da
Systematic Name: quinuclidin-3-amine dihydrochloride
SMILES: Cl.Cl.NC2C1CCN(CC1)C2
InChI: InChI=1/C7H14N2.2ClH/c8-7-5-9-3-1-6(7)2-4-9;;/h6-7H,1-5,8H2;2*1H
InChIKey: STZHBULOYDCZET-UHFFFAOYAP
Std. InChI: InChI=1S/C7H14N2.2ClH/c8-7-5-9-3-1-6(7)2-4-9;;/h6-7H,1-5,8H2;2*1H
Std. InChIKey: STZHBULOYDCZET-UHFFFAOYSA-N
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Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

1-Azabicy​clo(2.2.2​)octan-3-​amine, di​hydrochlo​ride (9CI)

1-Azabicy​clo[2.2.2​]octan-3-​amine, di​hydrochlo​ride

1-azabicy​clo[2.2.2​]octan-3-​amine, hy​drochlori​de (1:2)

229-424-6 [EINECS/ELINCS]

Quinuclid​in-3-amin​e dihydro​chloride

3-aminoqu​inuclidin​e dihydro​chloride

3-Aminoqu​inuclidin​e dihydro​chloride ​98%

6238-14-8 [RN]

6530-09-2 [RN]

9/2/6530

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Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

ACD/LogP: 0.20 # of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): ACD/LogD (pH 7.4):
ACD/BCF (pH 5.5): ACD/BCF (pH 7.4):
ACD/KOC (pH 5.5): ACD/KOC (pH 7.4):
#H bond acceptors: 2 #H bond donors: 2
#Freely Rotating Bonds: 1 Polar Surface Area: 6.48 Å2
Index of Refraction: Molar Refractivity: cm3
Molar Volume: cm3 Polarizability: 10-24cm3
Surface Tension: dyne/cm Density: g/cm3
Flash Point: 51.1 °C Enthalpy of Vaporization: 40.24 kJ/mol
Boiling Point: 165.9 °C at 760 mmHg Vapour Pressure: 1.83 mmHg at 25°C