CAS
1160556-61-5 Purity
98%
1160556-61-5 Purity
98%
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3-Quinuclidinone hydrochloride
CAS
1193-65-3
Catalog Number
ACM1193653
Category
Organic Phosphine Compounds
Molecular Weight
161.6309
Molecular Formula
C7H12ClNO
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Specification
Synonyms
1-Azabicyclo[2.2.2]octan-3-one hydrochloride; 3-Quinuclidinone hydrochloride; 1-azabicyclo[2.2.2]octan-3-one,hydrochloride; 3-Quinuclidone hydrochloride; 3-Quinuclidnone hydrochloride; Quinuclidin-3-one hydrochloride;
IUPAC Name
1-azabicyclo[2.2.2]octan-3-one;hydrochloride
Canonical SMILES
C1CN2CCC1C(=O)C2.Cl
InChI Key
RFDPHKHXPMDJJD-UHFFFAOYSA-N
Boiling Point
204.9ºCat 760 mmHg
Melting Point
>300ºC (dec.)
Flash Point
78.1ºC
Appearance
White or yelloish Powder
EC Number
214-776-5
Exact Mass
161.06100
Hazard Statements
Xi:Irritant
MDL Number
MFCD00137391
Safety Description
S26-S37/39
Size
100g,500g
Stability
Stable under normal temperatures and pressures.
WGK Germany
3
What is the molecular formula of 3-Quinuclidinone hydrochloride?
The molecular formula of 3-Quinuclidinone hydrochloride is C7H12ClNO.
What is the molecular weight of 3-Quinuclidinone hydrochloride?
The molecular weight of 3-Quinuclidinone hydrochloride is 161.63 g/mol.
What is the IUPAC name of 3-Quinuclidinone hydrochloride?
The IUPAC name of 3-Quinuclidinone hydrochloride is 1-azabicyclo[2.2.2]octan-3-one;hydrochloride.
What is the InChI of 3-Quinuclidinone hydrochloride?
The InChI of 3-Quinuclidinone hydrochloride is InChI=1S/C7H11NO.ClH/c9-7-5-8-3-1-6(7)2-4-8;/h6H,1-5H2;1H.
What is the InChIKey of 3-Quinuclidinone hydrochloride?
The InChIKey of 3-Quinuclidinone hydrochloride is RFDPHKHXPMDJJD-UHFFFAOYSA-N.
What is the canonical SMILES of 3-Quinuclidinone hydrochloride?
The canonical SMILES of 3-Quinuclidinone hydrochloride is C1CN2CCC1C(=O)C2.Cl.
What is the CAS number of 3-Quinuclidinone hydrochloride?
The CAS number of 3-Quinuclidinone hydrochloride is 1193-65-3.
How many hydrogen bond donor counts does 3-Quinuclidinone hydrochloride have?
3-Quinuclidinone hydrochloride has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does 3-Quinuclidinone hydrochloride have?
3-Quinuclidinone hydrochloride has 2 hydrogen bond acceptor counts.
How many rotatable bond counts does 3-Quinuclidinone hydrochloride have?
3-Quinuclidinone hydrochloride has 0 rotatable bond counts.
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