CAS
959239-65-7 Purity
96%
959239-65-7 Purity
96%
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1-(3-Azetidinyl)-2-methylpiperidine
CAS
959239-81-7
Catalog Number
ACM959239817
Category
Other Products
Molecular Weight
154.252620 [g/mol]
Molecular Formula
C9H18N2
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Specification
Synonyms
1-(3-Azetidinyl)-2-methylpiperidine, 959239-81-7, Ambcb4026698, CTK5H8390, MolPort-014-756-704, AKOS012079980, AG-H-94424
IUPAC Name
1-(azetidin-3-yl)-2-methylpiperidine
Canonical SMILES
CC1CCCCN1C2CNC2
InChI Key
NIIXLZXTTXFBNJ-UHFFFAOYSA-N
Boiling Point
218.1ºC at 760 mmHg
Flash Point
83.1ºC
Density
0.975g/cm³
Exact Mass
154.14700
H-Bond Acceptor
2
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula of the compound is C9H18N2.
What is the molecular weight of the compound?
The molecular weight of the compound is 154.25 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 1-(azetidin-3-yl)-2-methylpiperidine.
What is the InChI key of the compound?
The InChI key of the compound is NIIXLZXTTXFBNJ-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CC1CCCCN1C2CNC2.
What is the CAS number of the compound?
The CAS number of the compound is 959239-81-7.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 1.
How many hydrogen bond donor counts does the compound have?
The compound has one hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has two hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has one rotatable bond count.
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