CAS
97752-30-2 Purity
96%
97752-30-2 Purity
96%
![6-Chloro-4-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-1,3-dimethyl-1H-benzotriazolium formate](https://resource.alfa-chemistry.com/structure/97752-32-4.gif)
![3,3'(Or 5,5')-[ethylenebis[(ethylimino)-p-phenyleneazo]]bis[1,4-dimethyl-1H-1,2,4-triazolium]diacetate](https://resource.alfa-chemistry.com/structure/97752-35-7.gif)
![3,3'(Or 5,5')-[ethylenebis[(ethylimino)-p-phenyleneazo]]bis[1,4-dimethyl-1H-1,2,4-triazolium]sulfate](https://resource.alfa-chemistry.com/structure/97752-36-8.gif)
![3,3'(Or 5,5')-[ethylenebis[(ethylimino)-p-phenyleneazo]]bis[1,4-dimethyl-1H-1,2,4-triazolium]dimethyl bis(sulfate)](https://resource.alfa-chemistry.com/structure/97752-37-9.gif)
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Bis[6-chloro-4-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-1,3-dimethyl-1H-benzotriazolium]sulfate
CAS
97752-33-5
Catalog Number
ACM97752335
Category
Other Products
Molecular Weight
861.802480 [g/mol]
Molecular Formula
C38H42Cl2N14O4S
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Specification
Synonyms
EINECS 307-796-1, 97752-33-5, Bis(6-chloro-4-((4-((2-cyanoethyl)ethylamino)phenyl)azo)-1,3-dimethyl-1H-benzotriazolium) sulphate
IUPAC Name
3-[4-[(6-chloro-1,3-dimethylbenzotriazol-3-ium-4-yl)diazenyl]-N-ethylanilino]propanenitrile sulfate
InChI Key
QITMDMFFQIXDTO-UHFFFAOYSA-L
H-Bond Acceptor
14
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 57357106?
The molecular formula is C38H46Cl2N14O4S.
What is the molecular weight of the compound?
The molecular weight is 865.8 g/mol.
What are the synonyms for this compound?
The synonyms are Bis[6-chloro-4-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-1,3-dimethyl-1H-benzotriazolium]sulfate.
What is the IUPAC name of the compound?
The IUPAC name is 3-[4-[(6-chloro-1,3-dimethyl-1,2-dihydrobenzotriazol-1-ium-4-yl)diazenyl]-N-ethylanilino]propanenitrile;sulfate.
What is the InChI of the compound?
The InChI is InChI=1S/2C19H22ClN7.H2O4S/c2*1-4-27(11-5-10-21)16-8-6-15(7-9-16)22-23-17-12-14(20)13-18-19(17)26(3)24-25(18)2;1-5(2,3)4/h2*6-9,12-13,24H,4-5,11H2,1-3H3;(H2,1,2,3,4).
What is the InChIKey of the compound?
The InChIKey is UHVHFAXRBBOZIP-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 4 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 16 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 232 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized according to PubChem.
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