CAS
93777-80-1 Purity
96%
93777-80-1 Purity
96%
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Methyl N,N,N-trimethyl-4-[(1-methylpyrrolidin-2-ylidene)amino]anilinium sulfate
CAS
93777-86-7
Catalog Number
ACM93777867
Category
Other Products
Molecular Weight
343.441700 [g/mol]
Molecular Formula
C14H22N3.CH3O4S
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Specification
Synonyms
EINECS 298-117-7, Methyl N,N,N-trimethyl-4-((1-methylpyrrolidin-2-ylidene)amino)anilinium sulphate, 93777-86-7
IUPAC Name
hydrogen sulfate; trimethyl-[2-methyl-4-[(1-methylpyrrolidin-2-ylidene)amino]phenyl]azanium
SMILES
CC1=C(C=CC(=C1)N=C2CCCN2C)[N+](C)(C)C.OS(=O)(=O)[O-]
InChI Key
FTWSJBJNTYVNSG-UHFFFAOYSA-M
EC Number
298-117-7
H-Bond Acceptor
6
H-Bond Donor
1
What is the molecular formula of Methyl N,N,N-trimethyl-4-[(1-methylpyrrolidin-2-ylidene)amino]anilinium sulfate?
The molecular formula is C15H25N3O4S.
What is the molecular weight of Methyl N,N,N-trimethyl-4-[(1-methylpyrrolidin-2-ylidene)amino]anilinium sulfate?
The molecular weight is 343.4 g/mol.
What is the IUPAC name of Methyl N,N,N-trimethyl-4-[(1-methylpyrrolidin-2-ylidene)amino]anilinium sulfate?
The IUPAC name is hydrogen sulfate;trimethyl-[2-methyl-4-[(1-methylpyrrolidin-2-ylidene)amino]phenyl]azanium.
What is the InChI of Methyl N,N,N-trimethyl-4-[(1-methylpyrrolidin-2-ylidene)amino]anilinium sulfate?
The InChI is InChI=1S/C15H24N3.H2O4S/c1-12-11-13(8-9-14(12)18(3,4)5)16-15-7-6-10-17(15)2;1-5(2,3)4/h8-9,11H,6-7,10H2,1-5H3;(H2,1,2,3,4)/q+1;/p-1.
What is the InChIKey of Methyl N,N,N-trimethyl-4-[(1-methylpyrrolidin-2-ylidene)amino]anilinium sulfate?
The InChIKey is FTWSJBJNTYVNSG-UHFFFAOYSA-M.
How many hydrogen bond donor counts does Methyl N,N,N-trimethyl-4-[(1-methylpyrrolidin-2-ylidene)amino]anilinium sulfate have?
It has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does Methyl N,N,N-trimethyl-4-[(1-methylpyrrolidin-2-ylidene)amino]anilinium sulfate have?
It has 5 hydrogen bond acceptor counts.
What is the topological polar surface area of Methyl N,N,N-trimethyl-4-[(1-methylpyrrolidin-2-ylidene)amino]anilinium sulfate?
The topological polar surface area is 101 Å2.
Does Methyl N,N,N-trimethyl-4-[(1-methylpyrrolidin-2-ylidene)amino]anilinium sulfate have any defined atom stereocenter counts?
It has 0 defined atom stereocenter counts.
Is Methyl N,N,N-trimethyl-4-[(1-methylpyrrolidin-2-ylidene)amino]anilinium sulfate canonicalized?
Yes, the compound is canonicalized.
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