CAS
938458-91-4 Purity
96%
938458-91-4 Purity
96%
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3-(2,5-Dimethoxyphenyl)pyrrolidine
CAS
938458-95-8
Catalog Number
ACM938458958
Category
Other Products
Molecular Weight
207.268880 [g/mol]
Molecular Formula
C12H17NO2
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Specification
Synonyms
3-(2,5-dimethoxyphenyl)pyrrolidine, 938458-95-8, Ambcb4006413, SureCN7898068, CTK5H3503, AKOS011344753, AG-H-84178, AK106758, PYRROLIDINE, 3-(2,5-DIMETHOXYPHENYL)-
IUPAC Name
3-(2,5-dimethoxyphenyl)pyrrolidine
SMILES
COC1=CC(=C(C=C1)OC)C2CCNC2
InChI Key
CFXGZDPEXFOZFF-UHFFFAOYSA-N
Boiling Point
320ºC at 760 mmHg
Flash Point
129.4ºC
Density
1.052g/cm³
Exact Mass
207.12600
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 3-(2,5-Dimethoxyphenyl)pyrrolidine?
The molecular formula is C12H17NO2.
What is the molecular weight of 3-(2,5-Dimethoxyphenyl)pyrrolidine?
The molecular weight is 207.27 g/mol.
What is the IUPAC name of 3-(2,5-Dimethoxyphenyl)pyrrolidine?
The IUPAC name is 3-(2,5-dimethoxyphenyl)pyrrolidine.
What is the InChI of 3-(2,5-Dimethoxyphenyl)pyrrolidine?
The InChI is InChI=1S/C12H17NO2/c1-14-10-3-4-12(15-2)11(7-10)9-5-6-13-8-9/h3-4,7,9,13H,5-6,8H2,1-2H3.
What is the InChIKey of 3-(2,5-Dimethoxyphenyl)pyrrolidine?
The InChIKey is CFXGZDPEXFOZFF-UHFFFAOYSA-N.
What is the Canonical SMILES of 3-(2,5-Dimethoxyphenyl)pyrrolidine?
The Canonical SMILES is COC1=CC(=C(C=C1)OC)C2CCNC2.
How many hydrogen bond donor counts does 3-(2,5-Dimethoxyphenyl)pyrrolidine have?
It has 1 hydrogen bond donor count.
What is the exact mass of 3-(2,5-Dimethoxyphenyl)pyrrolidine?
The exact mass is 207.125928785 g/mol.
How many rotatable bond counts does 3-(2,5-Dimethoxyphenyl)pyrrolidine have?
It has 3 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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