CAS
898793-84-5 Purity
96%
898793-84-5 Purity
96%
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3-(Pyrrolidinomethyl)benzophenone
CAS
898793-88-9
Catalog Number
ACM898793889
Category
Other Products
Molecular Weight
265.35
Molecular Formula
C18H19NO
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Specification
Synonyms
3-(PYRROLIDINOMETHYL)BENZOPHENONE
IUPAC Name
phenyl-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
InChI Key
HOCNEXBKLDWEAJ-UHFFFAOYSA-N
Boiling Point
401.2ºC at 760 mmHg
Flash Point
149.7ºC
Density
1.123g/cm³
Exact Mass
265.14700
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 3-(Pyrrolidinomethyl)benzophenone?
The molecular formula is C18H19NO.
What is the molecular weight of 3-(Pyrrolidinomethyl)benzophenone?
The molecular weight is 265.3 g/mol.
What is the IUPAC name of 3-(Pyrrolidinomethyl)benzophenone?
The IUPAC name is phenyl-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone.
What is the InChI of 3-(Pyrrolidinomethyl)benzophenone?
The InChI is InChI=1S/C18H19NO/c20-18(16-8-2-1-3-9-16)17-10-6-7-15(13-17)14-19-11-4-5-12-19/h1-3,6-10,13H,4-5,11-12,14H2.
What is the InChIKey of 3-(Pyrrolidinomethyl)benzophenone?
The InChIKey is HOCNEXBKLDWEAJ-UHFFFAOYSA-N.
What is the Canonical SMILES of 3-(Pyrrolidinomethyl)benzophenone?
The Canonical SMILES is C1CCN(C1)CC2=CC(=CC=C2)C(=O)C3=CC=CC=C3.
How many hydrogen bond donor counts does 3-(Pyrrolidinomethyl)benzophenone have?
It has 0 hydrogen bond donor counts.
What is the topological polar surface area of 3-(Pyrrolidinomethyl)benzophenone?
The topological polar surface area is 20.3 Ų.
How many rotatable bond counts does 3-(Pyrrolidinomethyl)benzophenone have?
It has 4 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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