CAS
91480-92-1 Purity
96%
91480-92-1 Purity
96%
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1-[4-Amino-5-(2-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethanone
CAS
91481-03-7
Catalog Number
ACM91481037
Category
Other Products
Molecular Weight
244.289040 [g/mol]
Molecular Formula
C14H16N2O2
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Specification
Synonyms
1-[4-amino-5-(2-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethanone
IUPAC Name
1-[4-amino-5-(2-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethanone
Canonical SMILES
CC1=C(C(=C(N1)C2=CC=CC=C2OC)N)C(=O)C
InChI Key
AVGIPTWEOCXHOK-UHFFFAOYSA-N
Boiling Point
409.7ºC at 760mmHg
Flash Point
201.6ºC
Density
1.179g/cm³
Exact Mass
244.12100
H-Bond Acceptor
3
H-Bond Donor
2
What is the molecular formula of the compound with PubChem CID 56250?
The molecular formula is C14H16N2O2.
What is the molecular weight of the compound?
The molecular weight is 244.29 g/mol.
What are some synonyms of the compound?
Some synonyms include 1-(4-Amino-5-(2-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl)ethanone and ETHANONE, 1-(4-AMINO-5-(2-METHOXYPHENYL)-2-METHYL-1H-PYRROL-3-YL)-.
What is the InChIKey of the compound?
The InChIKey is AVGIPTWEOCXHOK-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donors.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 2.3.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the exact mass of the compound?
The exact mass is 244.121177757 g/mol.
How many rotatable bond counts does the compound have?
The compound has 3 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 68.1 Ų.
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