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36160-16-4 | N-(1-Isoquinolyl)carbamic acid ethyl ester
CAS No: 36160-16-4 Catalog No: AG00D2OJ MDL No:
Product Description
Catalog Number:
AG00D2OJ
Chemical Name:
N-(1-Isoquinolyl)carbamic acid ethyl ester
CAS Number:
36160-16-4
IUPAC Name:
ethyl N-isoquinolin-1-ylcarbamate
InChI:
InChI=1S/C12H12N2O2/c1-2-16-12(15)14-11-10-6-4-3-5-9(10)7-8-13-11/h3-8H,2H2,1H3,(H,13,14,15)
InChI Key:
GUEOZAGOESGONU-UHFFFAOYSA-N
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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