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207572-69-8 | 1H-Indole-3-carboxylic acid, 2-(1-piperidinyl)ethyl ester, hydrochloride (1:1)
CAS No: 207572-69-8 Catalog No: AG002J58 MDL No:
Product Description
Catalog Number:
AG002J58
Chemical Name:
1H-Indole-3-carboxylic acid, 2-(1-piperidinyl)ethyl ester, hydrochloride (1:1)
CAS Number:
207572-69-8
Molecular Formula:
C16H21ClN2O2
Molecular Weight:
308.8031
IUPAC Name:
2-piperidin-1-ylethyl 1H-indole-3-carboxylate;hydrochloride
InChI:
InChI=1S/C16H20N2O2.ClH/c19-16(20-11-10-18-8-4-1-5-9-18)14-12-17-15-7-3-2-6-13(14)15;/h2-3,6-7,12,17H,1,4-5,8-11H2;1H
InChI Key:
LYMBEMCUJNDSBZ-UHFFFAOYSA-N
SMILES:
O=C(c1c[nH]c2c1cccc2)OCCN1CCCCC1.Cl
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.129g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
308.806g/mol
Monoisotopic Mass:
308.129g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum. | Nature chemical biology 20091001 |
| 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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