CAS
93942-49-5 Purity
96%
93942-49-5 Purity
96%
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1-Piperidinebutanenitrile,b-methyl-a,a-diphenyl-,hydrobromide(1:1)
CAS
93942-54-2
Catalog Number
ACM93942542
Category
Other Products
Molecular Weight
399.36718
Molecular Formula
C22H26N2.BrH
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Specification
Synonyms
EINECS 300-607-3, beta-Methyl-alpha,alpha-diphenylpiperidine-1-butyronitrile monohydrobromide, 93942-54-2
IUPAC Name
3-methyl-2,2-diphenyl-4-piperidin-1-ylbutanenitrile hydrobromide
Canonical SMILES
CC(CN1CCCCC1)C(C#N)(C2=CC=CC=C2)C3=CC=CC=C3.Br
InChI Key
WLAKYNHCKSBYML-UHFFFAOYSA-N
Boiling Point
504.3ºC at 760 mmHg
Flash Point
258.8ºC
EC Number
300-607-3
Exact Mass
398.13600
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 44144975?
The molecular formula is C22H27BrN2.
What are some synonyms for the compound with PubChem CID 44144975?
Some synonyms include 93942-54-2, beta-Methyl-alpha,alpha-diphenylpiperidine-1-butyronitrile monohydrobromide, and DTXSID50916940.
When was the compound with PubChem CID 44144975 created and last modified?
It was created on August 20, 2009, and last modified on December 30, 2023.
What is the IUPAC name of the compound with PubChem CID 44144975?
The IUPAC name is 3-methyl-2,2-diphenyl-4-piperidin-1-ylbutanenitrile;hydrobromide.
What is the InChIKey of the compound with PubChem CID 44144975?
The InChIKey is WLAKYNHCKSBYML-UHFFFAOYSA-N.
How many hydrogen bond donor count does the compound with PubChem CID 44144975 have?
It has one hydrogen bond donor count.
What is the exact mass of the compound with PubChem CID 44144975?
The exact mass is 398.13576 g/mol.
How many rotatable bond count does the compound with PubChem CID 44144975 have?
It has 5 rotatable bond count.
What is the topological polar surface area of the compound with PubChem CID 44144975?
The topological polar surface area is 27?2.
Is the compound with PubChem CID 44144975 canonicalized?
Yes, the compound is canonicalized.
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