CAS
94200-34-7 Purity
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94200-34-7 Purity
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2-[(2-Ethylhexyl)amino]ethanesulfonic acid
CAS
94200-39-2
Catalog Number
ACM94200392
Category
Other Products
Molecular Weight
237.359520 [g/mol]
Molecular Formula
C10H23NO3S
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Specification
Synonyms
EINECS 303-516-7, CID3023955, 2-((2-Ethylhexyl)amino)ethanesulphonic acid, 94200-39-2
IUPAC Name
2-(2-ethylhexylamino)ethanesulfonic acid
Canonical SMILES
CCCCC(CC)CNCCS(=O)(=O)O
InChI Key
PERNZMXFAMSERD-UHFFFAOYSA-N
Density
1.072g/cm³
EC Number
303-516-7
Exact Mass
237.14000
H-Bond Acceptor
4
H-Bond Donor
2
What is the molecular formula of 2-[(2-Ethylhexyl)amino]ethanesulfonic acid?
The molecular formula is C10H23NO3S.
When was the compound first created?
The compound was first created on August 8, 2005.
What is the molecular weight of 2-[(2-Ethylhexyl)amino]ethanesulfonic acid?
The molecular weight is 237.36 g/mol.
How is the InChIKey of 2-[(2-Ethylhexyl)amino]ethanesulfonic acid computed?
The InChIKey is computed by InChI 1.0.6.
What is the Canonical SMILES representation of 2-[(2-Ethylhexyl)amino]ethanesulfonic acid?
The Canonical SMILES representation is CCCCC(CC)CNCCS(=O)(=O)O.
What is the CAS number of 2-[(2-Ethylhexyl)amino]ethanesulfonic acid?
The CAS number is 94200-39-2.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
What is the XLogP3-AA value of 2-[(2-Ethylhexyl)amino]ethanesulfonic acid?
The XLogP3-AA value is -0.5.
What is the topological polar surface area of 2-[(2-Ethylhexyl)amino]ethanesulfonic acid?
The topological polar surface area is 74.8 Ų.
Does 2-[(2-Ethylhexyl)amino]ethanesulfonic acid have a defined atom stereocenter count?
No, it does not have a defined atom stereocenter count.
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