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166742-98-9 | Carbamic acid, methyl[(3R)-1,2,3,4-tetrahydro-3-quinolinyl]-, phenylmethyl ester (9CI)
CAS No: 166742-98-9 Catalog No: AG001WX8 MDL No:MFCD18207125
Product Description
Catalog Number:
AG001WX8
Chemical Name:
Carbamic acid, methyl[(3R)-1,2,3,4-tetrahydro-3-quinolinyl]-, phenylmethyl ester (9CI)
CAS Number:
166742-98-9
Molecular Formula:
C18H20N2O2
Molecular Weight:
296.3636
MDL Number:
MFCD18207125
IUPAC Name:
benzyl N-methyl-N-[(3R)-1,2,3,4-tetrahydroquinolin-3-yl]carbamate
InChI:
InChI=1S/C18H20N2O2/c1-20(18(21)22-13-14-7-3-2-4-8-14)16-11-15-9-5-6-10-17(15)19-12-16/h2-10,16,19H,11-13H2,1H3/t16-/m1/s1
InChI Key:
CNRFRMQVMVEMAF-MRXNPFEDSA-N
SMILES:
O=C(N([C@H]1CNc2c(C1)cccc2)C)OCc1ccccc1
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
296.152g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.37g/mol
Monoisotopic Mass:
296.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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