CAS
94980-84-4 Purity
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94980-84-4 Purity
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N-Benzyl-3-cyanoazetidine
CAS
94985-26-9
Catalog Number
ACM94985269
Category
Other Products
Molecular Weight
172.226380 [g/mol]
Molecular Formula
C11H12N2
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Specification
Synonyms
N-Benzyl-3-cyanoazetidine;1-benzylazetidine-3-carbonitrile
IUPAC Name
1-benzylazetidine-3-carbonitrile
Canonical SMILES
C1C(CN1CC2=CC=CC=C2)C#N
InChI Key
JWARBUNVUNGRQE-UHFFFAOYSA-N
Boiling Point
296.1ºC at 760 mmHg
Flash Point
125.9ºC
Density
1.11g/cm³
Exact Mass
172.10000
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of N-Benzyl-3-cyanoazetidine?
The molecular formula of N-Benzyl-3-cyanoazetidine is C11H12N2.
When was N-Benzyl-3-cyanoazetidine created according to the reference?
N-Benzyl-3-cyanoazetidine was created on December 5, 2007.
What is the InChIKey of N-Benzyl-3-cyanoazetidine?
The InChIKey of N-Benzyl-3-cyanoazetidine is JWARBUNVUNGRQE-UHFFFAOYSA-N.
How many hydrogen bond acceptors does N-Benzyl-3-cyanoazetidine have?
N-Benzyl-3-cyanoazetidine has 2 hydrogen bond acceptors.
What is the XLogP3-AA value of N-Benzyl-3-cyanoazetidine?
The XLogP3-AA value of N-Benzyl-3-cyanoazetidine is 1.3.
What is the molecular weight of N-Benzyl-3-cyanoazetidine?
The molecular weight of N-Benzyl-3-cyanoazetidine is 172.23 g/mol.
How many rotatable bond counts does N-Benzyl-3-cyanoazetidine have?
N-Benzyl-3-cyanoazetidine has 2 rotatable bond counts.
What is the exact mass of N-Benzyl-3-cyanoazetidine?
The exact mass of N-Benzyl-3-cyanoazetidine is 172.100048391 g/mol.
Is N-Benzyl-3-cyanoazetidine a canonicalized compound?
Yes, N-Benzyl-3-cyanoazetidine is a canonicalized compound.
What is the topological polar surface area of N-Benzyl-3-cyanoazetidine?
The topological polar surface area of N-Benzyl-3-cyanoazetidine is 27.2.
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CAS
949867-67-8 Purity
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949867-67-8 Purity
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