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869895-17-0 | 4-N-Cbz-Aminomethyl-cyclohexone
CAS No: 869895-17-0 Catalog No: AG004HDL MDL No:
Product Description
Catalog Number:
AG004HDL
Chemical Name:
4-N-Cbz-Aminomethyl-cyclohexone
CAS Number:
869895-17-0
Molecular Formula:
C15H19NO3
Molecular Weight:
261.3163
IUPAC Name:
benzyl N-[(4-oxocyclohexyl)methyl]carbamate
InChI:
InChI=1S/C15H19NO3/c17-14-8-6-12(7-9-14)10-16-15(18)19-11-13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,16,18)
InChI Key:
KBXVCSAZKWKBLJ-UHFFFAOYSA-N
SMILES:
O=C(OCc1ccccc1)NCC1CCC(=O)CC1
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.321g/mol
Monoisotopic Mass:
261.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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