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111422-13-0 | Isoquinoline, 3-ethyl-1,2,3,4-tetrahydro-
CAS No: 111422-13-0 Catalog No: AG007AKR MDL No:MFCD16743958
Product Description
Catalog Number:
AG007AKR
Chemical Name:
Isoquinoline, 3-ethyl-1,2,3,4-tetrahydro-
CAS Number:
111422-13-0
Molecular Formula:
C11H15N
Molecular Weight:
161.2435
MDL Number:
MFCD16743958
IUPAC Name:
3-ethyl-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C11H15N/c1-2-11-7-9-5-3-4-6-10(9)8-12-11/h3-6,11-12H,2,7-8H2,1H3
InChI Key:
DQJWABGLXUIRKS-UHFFFAOYSA-N
SMILES:
CCC1NCc2c(C1)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:
2.3
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