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876715-56-9

876715-56-9 | 8-ethoxy-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole

CAS No: 876715-56-9 Catalog No: AG00JDCJ MDL No:MFCD07364686

Product Description

Catalog Number:
AG00JDCJ
Chemical Name:
8-ethoxy-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CAS Number:
876715-56-9
Molecular Formula:
C13H16N2O
Molecular Weight:
216.2789
MDL Number:
MFCD07364686
IUPAC Name:
8-ethoxy-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
InChI:
InChI=1S/C13H16N2O/c1-2-16-9-3-4-12-10(7-9)11-8-14-6-5-13(11)15-12/h3-4,7,14-15H,2,5-6,8H2,1H3
InChI Key:
MQVSQAVRUZMEJP-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)c1CNCCc1[nH]2

Properties

Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.126g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
216.284g/mol
Monoisotopic Mass:
216.126g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

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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