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125-85-9 | Cyclopentanecarboxylic acid, 1-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
CAS No: 125-85-9 Catalog No: AG000MZ5 MDL No:
Product Description
Catalog Number:
AG000MZ5
Chemical Name:
Cyclopentanecarboxylic acid, 1-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
CAS Number:
125-85-9
Molecular Formula:
C18H28ClNO2
Molecular Weight:
325.8734
IUPAC Name:
2-(diethylamino)ethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride
InChI:
InChI=1S/C18H27NO2.ClH/c1-3-19(4-2)14-15-21-17(20)18(12-8-9-13-18)16-10-6-5-7-11-16;/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3;1H
InChI Key:
MUPNXGNOIBYHSG-UHFFFAOYSA-N
SMILES:
CCN(CCOC(=O)C1(CCCC1)c1ccccc1)CC.Cl
EC Number:
204-758-5
UNII:
4858SN190E
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.181g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.877g/mol
Monoisotopic Mass:
325.181g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
29.5A^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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