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42835-88-1 | 2-ethyl-1,2,3,4-tetrahydroquinoline
CAS No: 42835-88-1 Catalog No: AG019U1M MDL No:MFCD18448583
Product Description
Catalog Number:
AG019U1M
Chemical Name:
2-ethyl-1,2,3,4-tetrahydroquinoline
CAS Number:
42835-88-1
Molecular Formula:
C11H15N
Molecular Weight:
161.2435
MDL Number:
MFCD18448583
IUPAC Name:
2-ethyl-1,2,3,4-tetrahydroquinoline
InChI:
InChI=1S/C11H15N/c1-2-10-8-7-9-5-3-4-6-11(9)12-10/h3-6,10,12H,2,7-8H2,1H3
InChI Key:
KBEJREJHQMPXJD-UHFFFAOYSA-N
SMILES:
CCC1CCc2c(N1)cccc2
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.12g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.248g/mol
Monoisotopic Mass:
161.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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