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1267032-80-3 | Isoquinoline, 7-ethyl-1,2,3,4-tetrahydro-4,4-dimethyl-
CAS No: 1267032-80-3 Catalog No: AG000T43 MDL No:MFCD19348024
Product Description
Catalog Number:
AG000T43
Chemical Name:
Isoquinoline, 7-ethyl-1,2,3,4-tetrahydro-4,4-dimethyl-
CAS Number:
1267032-80-3
Molecular Formula:
C13H19N
Molecular Weight:
189.2967
MDL Number:
MFCD19348024
IUPAC Name:
7-ethyl-4,4-dimethyl-2,3-dihydro-1H-isoquinoline
InChI:
InChI=1S/C13H19N/c1-4-10-5-6-12-11(7-10)8-14-9-13(12,2)3/h5-7,14H,4,8-9H2,1-3H3
InChI Key:
IBJUAJGXCDCPBL-UHFFFAOYSA-N
SMILES:
CCc1ccc2c(c1)CNCC2(C)C
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.152g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.302g/mol
Monoisotopic Mass:
189.152g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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