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93805-13-1 Purity
96%
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Methyl N-[3-(acetylamino)phenyl]-beta-alaninate
CAS
93805-15-3
Catalog Number
ACM93805153
Category
Other Products
Molecular Weight
236.267040 [g/mol]
Molecular Formula
C12H16N2O3
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Specification
Synonyms
EINECS 298-496-9, Methyl N-(3-(acetylamino)phenyl)-beta-alaninate, 93805-15-3
IUPAC Name
methyl 3-(3-acetamidoanilino)propanoate
Canonical SMILES
CC(=O)NC1=CC(=CC=C1)NCCC(=O)OC
InChI Key
FBZLVLHNZMZBDI-UHFFFAOYSA-N
Boiling Point
470.2ºC at 760mmHg
Flash Point
238.2ºC
Density
1.211g/cm³
EC Number
298-496-9
Exact Mass
236.11600
H-Bond Acceptor
4
H-Bond Donor
2
What is the molecular formula of Methyl N-[3-(acetylamino)phenyl]-beta-alaninate?
The molecular formula is C12H16N2O3.
When was Methyl N-[3-(acetylamino)phenyl]-beta-alaninate created and modified in the PubChem database?
It was created on December 5, 2007, and last modified on December 30, 2023.
What is the IUPAC name of Methyl N-[3-(acetylamino)phenyl]-beta-alaninate?
The IUPAC name is methyl 3-(3-acetamidoanilino)propanoate.
What is the InChIKey for Methyl N-[3-(acetylamino)phenyl]-beta-alaninate?
The InChIKey is FBZLVLHNZMZBDI-UHFFFAOYSA-N.
What is the Canonical SMILES for Methyl N-[3-(acetylamino)phenyl]-beta-alaninate?
The Canonical SMILES is CC(=O)NC1=CC=CC(=C1)NCCC(=O)OC.
What is the molecular weight of Methyl N-[3-(acetylamino)phenyl]-beta-alaninate?
The molecular weight is 236.27 g/mol.
How many hydrogen bond donor counts are there in Methyl N-[3-(acetylamino)phenyl]-beta-alaninate?
There are 2 hydrogen bond donor counts.
What is the topological polar surface area of Methyl N-[3-(acetylamino)phenyl]-beta-alaninate?
The topological polar surface area is 67.4 Ų.
Is Methyl N-[3-(acetylamino)phenyl]-beta-alaninate a canonicalized compound according to PubChem?
Yes, the compound is canonicalized in PubChem.
How many covalently-bonded unit counts are there in Methyl N-[3-(acetylamino)phenyl]-beta-alaninate?
There is 1 covalently-bonded unit count.
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