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1823312-75-9 | Carbamic acid, N-(1-methyl-3-isoquinolinyl)-, 1,1-dimethylethyl ester
CAS No: 1823312-75-9 Catalog No: AG0023NM MDL No:
Product Description
Catalog Number:
AG0023NM
Chemical Name:
Carbamic acid, N-(1-methyl-3-isoquinolinyl)-, 1,1-dimethylethyl ester
CAS Number:
1823312-75-9
Molecular Formula:
C15H18N2O2
Molecular Weight:
258.3156
IUPAC Name:
tert-butyl N-(1-methylisoquinolin-3-yl)carbamate
InChI:
InChI=1S/C15H18N2O2/c1-10-12-8-6-5-7-11(12)9-13(16-10)17-14(18)19-15(2,3)4/h5-9H,1-4H3,(H,16,17,18)
InChI Key:
JACCSZCGSMWLEU-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1cc2ccccc2c(n1)C
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.137g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.321g/mol
Monoisotopic Mass:
258.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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