CAS
93839-23-7 Purity
96%
93839-23-7 Purity
96%
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Benzyl(2-ethylhexyl)dimethylammonium chloride
CAS
93839-30-6
Catalog Number
ACM93839306
Category
Other Products
Molecular Weight
283.879800 [g/mol]
Molecular Formula
C17H30ClN
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Specification
Synonyms
EINECS 298-799-6, CID3022532, Benzyl(2-ethylhexyl)dimethylammonium chloride, 93839-30-6
IUPAC Name
benzyl-(2-ethylhexyl)-dimethylazanium chloride
Canonical SMILES
CCCCC(CC)C[N+](C)(C)CC1=CC=CC=C1.[Cl-]
InChI Key
CHQDFPKUWSDOEC-UHFFFAOYSA-M
EC Number
298-799-6
Exact Mass
283.20700
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of Benzyl(2-ethylhexyl)dimethylammonium chloride?
The molecular formula is C17H30ClN.
What is the molecular weight of Benzyl(2-ethylhexyl)dimethylammonium chloride?
The molecular weight is 283.9 g/mol.
What is the IUPAC name of Benzyl(2-ethylhexyl)dimethylammonium chloride?
The IUPAC name is benzyl-(2-ethylhexyl)-dimethylazanium; chloride.
What is the InChI of Benzyl(2-ethylhexyl)dimethylammonium chloride?
The InChI is InChI=1S/C17H30N.ClH/c1-5-7-11-16(6-2)14-18(3,4)15-17-12-9-8-10-13-17;/h8-10,12-13,16H,5-7,11,14-15H2,1-4H3;1H/q+1;/p-1.
What is the Canonical SMILES of Benzyl(2-ethylhexyl)dimethylammonium chloride?
The Canonical SMILES is CCCCC(CC)C[N+](C)(C)CC1=CC=CC=C1.[Cl-].
What is the CAS number of Benzyl(2-ethylhexyl)dimethylammonium chloride?
The CAS number is 93839-30-6.
How many hydrogen bond donor counts does Benzyl(2-ethylhexyl)dimethylammonium chloride have?
It has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does Benzyl(2-ethylhexyl)dimethylammonium chloride have?
It has 1 hydrogen bond acceptor count.
How many rotatable bond counts does Benzyl(2-ethylhexyl)dimethylammonium chloride have?
It has 8 rotatable bond counts.
Is Benzyl(2-ethylhexyl)dimethylammonium chloride canonicalized?
Yes, it is canonicalized.
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