CAS
94276-17-2 Purity
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94276-17-2 Purity
96%
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Ethyl 3-(diethylamino)-4-[(3-pyridylcarbonyl)amino]benzoate monohydrochloride
CAS
94276-20-7
Catalog Number
ACM94276207
Category
Other Products
Molecular Weight
377.865160 [g/mol]
Molecular Formula
C19H23N3O3.HCl
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Specification
Synonyms
EINECS 304-507-0, CID3024195, Ethyl 3-(diethylamino)-4-((3-pyridylcarbonyl)amino)benzoate monohydrochloride, 94276-20-7
IUPAC Name
ethyl 3-(diethylamino)-4-(pyridine-3-carbonylamino)benzoate hydrochloride
Canonical SMILES
CCN(CC)C1=C(C=CC(=C1)C(=O)OCC)NC(=O)C2=CN=CC=C2.Cl
InChI Key
HKXWNIBWJHCUFY-UHFFFAOYSA-N
Boiling Point
442.9ºC at 760mmHg
Flash Point
221.7ºC
EC Number
304-507-0
Exact Mass
377.15100
H-Bond Acceptor
5
H-Bond Donor
2
What is the molecular formula of Ethyl 3-(diethylamino)-4-[(3-pyridylcarbonyl)amino]benzoate monohydrochloride?
The molecular formula is C19H24ClN3O3.
When was Ethyl 3-(diethylamino)-4-[(3-pyridylcarbonyl)amino]benzoate monohydrochloride created?
It was created on 2005-08-08.
What is the IUPAC Name of Ethyl 3-(diethylamino)-4-[(3-pyridylcarbonyl)amino]benzoate monohydrochloride?
The IUPAC Name is ethyl 3-(diethylamino)-4-(pyridine-3-carbonylamino)benzoate;hydrochloride.
What is the InChIKey of Ethyl 3-(diethylamino)-4-[(3-pyridylcarbonyl)amino]benzoate monohydrochloride?
The InChIKey is HKXWNIBWJHCUFY-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in Ethyl 3-(diethylamino)-4-[(3-pyridylcarbonyl)amino]benzoate monohydrochloride?
There are 2 hydrogen bond donor counts.
What is the hydrogen bond acceptor count of Ethyl 3-(diethylamino)-4-[(3-pyridylcarbonyl)amino]benzoate monohydrochloride?
The hydrogen bond acceptor count is 5.
What is the exact mass of Ethyl 3-(diethylamino)-4-[(3-pyridylcarbonyl)amino]benzoate monohydrochloride?
The exact mass is 377.1506193 g/mol.
How many rotatable bond counts are there in Ethyl 3-(diethylamino)-4-[(3-pyridylcarbonyl)amino]benzoate monohydrochloride?
There are 8 rotatable bond counts.
What is the topological polar surface area of Ethyl 3-(diethylamino)-4-[(3-pyridylcarbonyl)amino]benzoate monohydrochloride?
The topological polar surface area is 71.5 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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