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1140067-27-1 | Carbamic acid, N-[4-(aminomethyl)phenyl]-, 9H-fluoren-9-ylmethyl ester
CAS No: 1140067-27-1 Catalog No: AG000AA8 MDL No:MFCD06658453
Product Description
Catalog Number:
AG000AA8
Chemical Name:
Carbamic acid, N-[4-(aminomethyl)phenyl]-, 9H-fluoren-9-ylmethyl ester
CAS Number:
1140067-27-1
Molecular Formula:
C22H20N2O2
Molecular Weight:
344.4064
MDL Number:
MFCD06658453
IUPAC Name:
9H-fluoren-9-ylmethyl N-[4-(aminomethyl)phenyl]carbamate
InChI:
InChI=1S/C22H20N2O2/c23-13-15-9-11-16(12-10-15)24-22(25)26-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21H,13-14,23H2,(H,24,25)
InChI Key:
XMNFMWNJXDGPGU-UHFFFAOYSA-N
SMILES:
NCc1ccc(cc1)NC(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.152g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
344.414g/mol
Monoisotopic Mass:
344.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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