CAS
93777-78-7 Purity
96%
93777-78-7 Purity
96%
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4-[[[(3,4-Dichlorophenyl)amino]carbonyl]amino]-N,N,N-trimethylanilinium methyl sulfate
CAS
93777-84-5
Catalog Number
ACM93777845
Category
Other Products
Molecular Weight
450.336740 [g/mol]
Molecular Formula
C16H18Cl2N3O.CH3O4S
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Specification
Synonyms
EINECS 298-116-1, CID5744125, 4-((((3,4-Dichlorophenyl)amino)carbonyl)amino)-N,N,N-trimethylanilinium methyl sulphate, 93777-84-5
IUPAC Name
[4-[(3,4-dichlorophenyl)carbamoylamino]phenyl]-trimethylazanium; methyl sulfate
SMILES
C[N+](C)(C)C1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl.COS(=O)(=O)[O-]
InChI Key
WXQQPYXFJSTNRG-UHFFFAOYSA-N
EC Number
298-116-1
Exact Mass
449.05800
H-Bond Acceptor
5
H-Bond Donor
2
What is the IUPAC name of the compound?
[4-[(3,4-dichlorophenyl)carbamoylamino]phenyl]-trimethylazanium;methyl sulfate
What is the molecular weight of the compound?
450.3 g/mol
What is the CAS number of the compound?
93777-84-5
How many hydrogen bond donor counts does the compound have?
2
How many hydrogen bond acceptor counts does the compound have?
5
How many rotatable bond counts does the compound have?
3
What is the exact mass of the compound?
449.0578973 g/mol
What is the topological polar surface area of the compound?
116 ?^2
How many heavy atoms does the compound have?
28
Is the compound canonicalized?
Yes
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