CAS
98581-86-3 Purity
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98581-86-3 Purity
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1-Propyl-3-piperidone hydrate hydrochloride
CAS
98584-59-9
Catalog Number
ACM98584599
Category
Other Products
Molecular Weight
141.210800 [g/mol]
Molecular Formula
C8H15NO
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Specification
Synonyms
N-PROPYL-3-PIPERIDONE, 98584-59-9, AGN-PC-003RMW, SureCN2859361, 3-Piperidinone, 1-propyl-, CTK5H9987, ALBB-014959, AKOS005174599, AG-H-99994
IUPAC Name
1-propylpiperidin-3-one
Canonical SMILES
CCCN1CCCC(=O)C1
InChI Key
SZWFGCRTUHNBQX-UHFFFAOYSA-N
Exact Mass
141.11500
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 1-Propyl-3-piperidone hydrate hydrochloride?
The molecular formula is C8H15NO.
When was this compound first created?
It was created on February 9, 2007.
What is the IUPAC name of this compound?
The IUPAC name is 1-propylpiperidin-3-one.
What is the InChIKey of this compound?
The InChIKey is SZWFGCRTUHNBQX-UHFFFAOYSA-N.
How many hydrogen bond acceptors does this compound have?
It has 2 hydrogen bond acceptors.
What is the XLogP3-AA value of this compound?
The XLogP3-AA value is 1.1.
What is the topological polar surface area of this compound?
The topological polar surface area is 20.3 Ǻ2.
Does this compound have any defined atom stereocenter count?
No, it has 0 defined atom stereocenter count.
How many covalently-bonded units does this compound have?
It has 1 covalently-bonded unit.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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