CAS
937795-86-3 Purity
96%
937795-86-3 Purity
96%
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2-[3-(Chloromethyl)piperidino]-6-methylpyrazine
CAS
937795-92-1
Catalog Number
ACM937795921
Category
Other Products
Molecular Weight
225.72
Molecular Formula
C11H16ClN3
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Specification
Synonyms
937795-92-1, 2-[3-(Chloromethyl)piperidin-1-yl]-6-methylpyrazine, 2-(3-(Chloromethyl)piperidin-1-yl)-6-methylpyrazine, CTK5H3099, MolPort-000-143-824, SBB096894, AKOS016012039, AG-H-83385, CC59024, AK123087, KB-221337, 2-[3-(chloromethyl)piperidyl]-6-methylpyrazine, I14-91211
IUPAC Name
2-[3-(chloromethyl)piperidin-1-yl]-6-methylpyrazine
Canonical SMILES
CC1=CN=CC(=N1)N2CCCC(C2)CCl
InChI Key
DTVYKEHYUMEUFH-UHFFFAOYSA-N
Boiling Point
372.1ºC at 760 mmHg
Flash Point
178.8ºC
Density
1.146g/cm³
Exact Mass
225.10300
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 24229601?
The molecular formula is C11H16ClN3.
What is the molecular weight of the compound?
The molecular weight is 225.72 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 2-[3-(chloromethyl)piperidin-1-yl]-6-methylpyrazine.
What is the InChIKey of the compound?
The InChIKey is DTVYKEHYUMEUFH-UHFFFAOYSA-N.
How many hydrogen bond acceptors does the compound have?
The compound has 3 hydrogen bond acceptors.
What is the topological polar surface area of the compound?
The topological polar surface area is 29 Å2.
How many rotatable bonds does the compound have?
The compound has 2 rotatable bonds.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 2.
What is the formal charge of the compound?
The formal charge is 0.
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CAS
937795-91-0 Purity
96%
937795-91-0 Purity
96%
