CAS
93841-16-8 Purity
96%
93841-16-8 Purity
96%
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4-(3-Carboxy-2-methyl-3,3-diphenylpropyl)morpholinium hydrogen sulfate
CAS
93841-21-5
Catalog Number
ACM93841215
Category
Other Products
Molecular Weight
437.506580 [g/mol]
Molecular Formula
C21H27NO7S
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Specification
Synonyms
EINECS 298-992-5, 4-(3-Carboxy-2-methyl-3,3-diphenylpropyl)morpholinium hydrogen sulphate, 93841-21-5
IUPAC Name
hydrogen sulfate; 3-methyl-4-morpholin-4-ium-4-yl-2,2-diphenylbutanoic acid
Canonical SMILES
CC(C[NH+]1CCOCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)O.OS(=O)(=O)[O-]
InChI Key
OFIQJTJIXKPUGI-UHFFFAOYSA-N
Boiling Point
586.1ºC at 760mmHg
Flash Point
308.3ºC
EC Number
298-992-5
Exact Mass
437.15100
H-Bond Acceptor
7
H-Bond Donor
3
What is the molecular formula of the compound with PubChem CID 25082948?
The molecular formula is C21H27NO7S.
What is the molecular weight of the compound?
The molecular weight is 437.5 g/mol.
What are some synonyms of the compound?
Some synonyms are 4-(3-Carboxy-2-methyl-3,3-diphenylpropyl)morpholinium hydrogen sulphate and AKOS030547284.
What is the IUPAC name of the compound?
The IUPAC name is hydrogen sulfate;3-methyl-4-morpholin-4-ium-4-yl-2,2-diphenylbutanoic acid.
What is the Canonical SMILES of the compound?
The Canonical SMILES is CC(C[NH+]1CCOCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)O.OS(=O)(=O)[O-].
What is the CAS number of the compound?
The CAS number is 93841-21-5.
How many hydrogen bond donor counts does the compound have?
The compound has 3 hydrogen bond donor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 137 2.
How many rotatable bond counts does the compound have?
The compound has 6 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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