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27819-47-2

27819-47-2 | 9H-Xanthene-9-carboxylic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1)

CAS No: 27819-47-2 Catalog No: AG002UU6 MDL No:

Product Description

Catalog Number:
AG002UU6
Chemical Name:
9H-Xanthene-9-carboxylic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
CAS Number:
27819-47-2
Molecular Formula:
C20H24ClNO3
Molecular Weight:
361.8625
IUPAC Name:
2-(diethylamino)ethyl 9H-xanthene-9-carboxylate;hydrochloride
InChI:
InChI=1S/C20H23NO3.ClH/c1-3-21(4-2)13-14-23-20(22)19-15-9-5-7-11-17(15)24-18-12-8-6-10-16(18)19;/h5-12,19H,3-4,13-14H2,1-2H3;1H
InChI Key:
IBJQAEQDWOJUFE-UHFFFAOYSA-N
SMILES:
CCN(CCOC(=O)C1c2ccccc2Oc2c1cccc2)CC.Cl

Properties

Complexity:
388  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.144g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
361.866g/mol
Monoisotopic Mass:
361.144g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Literature

Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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