CAS
94107-50-3 Purity
96%
94107-50-3 Purity
96%
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4-[2-(5-Nitro-1H-imidazole-1-yl)ethyl]morpholine monohydrochloride
CAS
94107-55-8
Catalog Number
ACM94107558
Category
Other Products
Molecular Weight
262.693400 [g/mol]
Molecular Formula
C9H14N4O3.HCl
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Specification
Synonyms
EINECS 302-288-6, CID3023540, 4-(2-(5-Nitro-1H-imidazole-1-yl)ethyl)morpholine monohydrochloride, 94107-55-8
IUPAC Name
4-[2-(5-nitroimidazol-1-yl)ethyl]morpholine hydrochloride
SMILES
C1COCCN1CCN2C=NC=C2[N+](=O)[O-].Cl
InChI Key
YNZSADJOMNVVST-UHFFFAOYSA-N
Boiling Point
443ºC at 760mmHg
Flash Point
221.7ºC
EC Number
302-288-6
Exact Mass
262.08300
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula of the compound is C9H15ClN4O3.
What is the molecular weight of the compound?
The molecular weight of the compound is 262.69 g/mol.
What are some synonyms for the compound?
Some synonyms for the compound include Nimorazole hydrochloride and 4-[2-(5-NITRO-1H-IMIDAZOLE-1-YL)ETHYL]MORPHOLINE MONOHYDROCHLORIDE.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 4-[2-(5-nitroimidazol-1-yl)ethyl]morpholine;hydrochloride.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C9H14N4O3.ClH/c14-13(15)9-7-10-8-12(9)2-1-11-3-5-16-6-4-11;/h7-8H,1-6H2;1H
What is the InChIKey of the compound?
The InChIKey of the compound is YNZSADJOMNVVST-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the hydrogen bond acceptor count of the compound?
The compound has 5 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 76.1 Å.
Is the compound canonicalized?
Yes, the compound is canonicalized according to PubChem.
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