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Home > Indoles and Oxindole > 919120-45-9
919120-45-9 | Azepino[4,3-b]indole, 2-ethyl-1,2,3,4,5,6-hexahydro-
CAS No: 919120-45-9 Catalog No: AG0068AX MDL No:
Product Description
Catalog Number:
AG0068AX
Chemical Name:
Azepino[4,3-b]indole, 2-ethyl-1,2,3,4,5,6-hexahydro-
CAS Number:
919120-45-9
Molecular Formula:
C14H18N2
Molecular Weight:
214.3061
IUPAC Name:
2-ethyl-3,4,5,6-tetrahydro-1H-azepino[4,3-b]indole
InChI:
InChI=1S/C14H18N2/c1-2-16-9-5-8-14-12(10-16)11-6-3-4-7-13(11)15-14/h3-4,6-7,15H,2,5,8-10H2,1H3
InChI Key:
NDMJXDNSSNTTCR-UHFFFAOYSA-N
SMILES:
CCN1CCCc2c(C1)c1ccccc1[nH]2
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.147g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.312g/mol
Monoisotopic Mass:
214.147g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
19A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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