CAS
943904-76-5 Purity
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943904-76-5 Purity
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1-Propanone,1-phenyl-3-(1-pyrrolidinyl)-
CAS
94-39-3
Catalog Number
ACM94393
Category
Other Products
Molecular Weight
203.28
Molecular Formula
C13H17NO
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Specification
Synonyms
1-PHENYL-3-(PYRROLIDIN-1-YL)PROPAN-1-ONE
IUPAC Name
1-phenyl-3-pyrrolidin-1-ylpropan-1-one
Canonical SMILES
C1CCN(C1)CCC(=O)C2=CC=CC=C2
InChI Key
WRSWNYCNECGVNL-UHFFFAOYSA-N
Boiling Point
328.6ºC at 760 mmHg
Flash Point
122.2ºC
Density
1.051 g/cm³
EC Number
619-034-8
Exact Mass
203.13100
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 1-Propanone,1-phenyl-3-(1-pyrrolidinyl)-?
The molecular formula is C13H17NO.
What is the molecular weight of 1-Propanone,1-phenyl-3-(1-pyrrolidinyl)-?
The molecular weight is 203.28 g/mol.
What is the IUPAC name of 1-Propanone,1-phenyl-3-(1-pyrrolidinyl)-?
The IUPAC name is 1-phenyl-3-pyrrolidin-1-ylpropan-1-one.
What is the InChI of 1-Propanone,1-phenyl-3-(1-pyrrolidinyl)-?
The InChI is InChI=1S/C13H17NO/c15-13(12-6-2-1-3-7-12)8-11-14-9-4-5-10-14/h1-3,6-7H,4-5,8-11H2.
What is the InChIKey of 1-Propanone,1-phenyl-3-(1-pyrrolidinyl)-?
The InChIKey is WRSWNYCNECGVNL-UHFFFAOYSA-N.
What is the Canonical SMILES of 1-Propanone,1-phenyl-3-(1-pyrrolidinyl)-?
The Canonical SMILES is C1CCN(C1)CCC(=O)C2=CC=CC=C2.
What is the CAS number of 1-Propanone,1-phenyl-3-(1-pyrrolidinyl)-?
The CAS number is 94-39-3.
What is the EC number of 1-Propanone,1-phenyl-3-(1-pyrrolidinyl)-?
The EC number is 619-034-8.
What is the DSSTox Substance ID of 1-Propanone,1-phenyl-3-(1-pyrrolidinyl)-?
The DSSTox Substance ID is DTXSID00275711.
Is 1-Propanone,1-phenyl-3-(1-pyrrolidinyl)- a canonicalized compound?
Yes, 1-Propanone,1-phenyl-3-(1-pyrrolidinyl)- is a canonicalized compound.
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