CAS
94232-04-9 Purity
96%
94232-04-9 Purity
96%
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[[(3,5,5-Trimethylhexyl)imino]bis(methylene)]bisphosphonic acid,potassium salt
CAS
94232-11-8
Catalog Number
ACM94232118
Category
Other Products
Molecular Weight
381.47138;g/mol
Molecular Formula
C21H27N5O2
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Specification
IUPAC Name
5-[(4,8-dimethoxy-2-pentylquinolin-6-yl)methyl]pyrimidine-2,4-diamine
Canonical SMILES
CCCCCC1=NC2=C(C=C(C=C2C(=C1)OC)CC3=CN=C(N=C3N)N)OC
InChI Key
JWCAEMXGSNFXQU-UHFFFAOYSA-N
What is the molecular formula of [(3,5,5-Trimethylhexyl)imino]bis(methylene)]bisphosphonic acid, potassium salt?
The molecular formula is C11H23K4NO6P2.
What is the molecular weight of the compound?
The molecular weight is 483.64 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is tetrapotassium;3,5,5-trimethyl-N,N-bis(phosphonatomethyl)hexan-1-amine.
What is the InChI of the compound?
The InChI is InChI=1S/C11H27NO6P2.4K/c1-10(7-11(2,3)4)5-6-12(8-19(13,14)15)9-20(16,17)18;;;;/h10H,5-9H2,1-4H3,(H2,13,14,15)(H2,16,17,18);;;;/q;4*+1/p-4.
What is the InChIKey of the compound?
The InChIKey is CWQMSYRHVCNJCQ-UHFFFAOYSA-J.
What is the canonical SMILES of the compound?
The canonical SMILES is CC(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CC(C)(C)C.[K+].[K+].[K+].[K+].
What is the CAS number of the compound?
The CAS number is 94230-71-4.
What is the European Community (EC) Number of the compound?
The EC number is 303-781-9.
What is the hydrogen bond donor count of the compound?
The hydrogen bond donor count is 0.
What is the complexity of the compound?
The complexity is 336.
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