CAS
938-38-5 Purity
96%
938-38-5 Purity
96%
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2-[(2-Cyanoethyl)anilino]ethyl methyl carbonate
CAS
93839-02-2
Catalog Number
ACM93839022
Category
Other Products
Molecular Weight
248.277740 [g/mol]
Molecular Formula
C13H16N2O3
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Specification
Synonyms
EINECS 298-773-4, CID3022522, 2-((2-Cyanoethyl)anilino)ethyl methyl carbonate, 93839-02-2
IUPAC Name
2-[N-(2-cyanoethyl)anilino]ethyl methyl carbonate
Canonical SMILES
COC(=O)OCCN(CCC#N)C1=CC=CC=C1
InChI Key
VOKMGOLQEBPKNR-UHFFFAOYSA-N
Boiling Point
399.1ºC at 760mmHg
Flash Point
195.2ºC
Density
1.164g/cm³
EC Number
298-773-4
Exact Mass
248.11600
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of the compound?
The molecular formula of the compound is C13H16N2O3.
What is the molecular weight of the compound?
The molecular weight of the compound is 248.28 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2-[N-(2-cyanoethyl)anilino]ethyl methyl carbonate.
What is the InChI key of the compound?
The InChI key of the compound is VOKMGOLQEBPKNR-UHFFFAOYSA-N.
How many hydrogen bond acceptors does the compound have?
The compound has 5 hydrogen bond acceptors.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 62.6 ².
Is the compound a covalently-bonded unit?
Yes, the compound is a covalently-bonded unit.
What is the exact mass of the compound?
The exact mass of the compound is 248.11609238 g/mol.
How many rotatable bond counts does the compound have?
The compound has 8 rotatable bond counts.
Can you provide some synonyms for the compound?
Some synonyms for the compound include 93839-02-2, EINECS 298-773-4, and DTXSID30239725.
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93839-07-7 Purity
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93839-07-7 Purity
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93839-08-8 Purity
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93839-08-8 Purity
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