CAS
918896 Purity
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918896 Purity
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![1,9-Diazaspiro[5.5]undecane-9-carboxylic acid,1-(2,2,2-trifluoroacetyl)-,1,1-dimethylethyl ester](https://resource.alfa-chemistry.com/structure/918896-27-2.gif)
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Benzenesulfonic acid,2-[(phenylmethyl)amino]-,sodium salt(1:1)
CAS
91889-81-5
Catalog Number
ACM91889815
Category
Other Products
Molecular Weight
263.31222
Molecular Formula
C13H13NO3S.Na
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Specification
Synonyms
2-benzylaminobenzenesulfonic acid
IUPAC Name
2-(benzylamino)benzenesulfonic acid
Canonical SMILES
C1=CC=C(C=C1)CNC2=CC=CC=C2S(=O)(=O)O
InChI Key
MPUUPHNZUMFOSI-UHFFFAOYSA-N
Exact Mass
263.06200
H-Bond Acceptor
4
H-Bond Donor
2
What is the molecular formula of the compound with PubChem CID 21295232?
The molecular formula is C13H13NO3S.
What is the molecular weight of the compound?
The molecular weight is 263.31 g/mol.
What is the IUPAC Name of the compound?
The IUPAC Name is 2-(benzylamino)benzenesulfonic acid.
What is the Canonical SMILES of the compound?
The Canonical SMILES is C1=CC=C(C=C1)CNC2=CC=CC=C2S(=O)(=O)O.
What is the InChIKey of the compound?
The InChIKey is MPUUPHNZUMFOSI-UHFFFAOYSA-N.
What is the CAS number of the compound?
The CAS number is 91889-81-5.
How many hydrogen bond donor counts are there in the compound?
There are 2 hydrogen bond donor counts.
How many hydrogen bond acceptor counts are there in the compound?
There are 4 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 74.8 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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918901-97-0 Purity
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918901-97-0 Purity
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