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200396-64-1 | Isoquinoline, 5-ethoxy-2-ethyl-1,2,3,4-tetrahydro- (9CI)
CAS No: 200396-64-1 Catalog No: AG00BUV4 MDL No:
Product Description
Catalog Number:
AG00BUV4
Chemical Name:
Isoquinoline, 5-ethoxy-2-ethyl-1,2,3,4-tetrahydro- (9CI)
CAS Number:
200396-64-1
IUPAC Name:
5-ethoxy-2-ethyl-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C13H19NO/c1-3-14-9-8-12-11(10-14)6-5-7-13(12)15-4-2/h5-7H,3-4,8-10H2,1-2H3
InChI Key:
PUUPYFBAFLZEFW-UHFFFAOYSA-N
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.147g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.301g/mol
Monoisotopic Mass:
205.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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