N-cyclohexylcyclohexanamine;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)propanoic acid

Catalog No: FT-0718878

CAS No: 81306-94-7

Chemical Name: N-cyclohexylcyclohexanamine;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)propanoic acid
Molecular Formula: C28H45N3O6
Molecular Weight: 519.7
InChI Key: RPWGTQRQPVPFKR-UHFFFAOYSA-N
InChI: InChI=1S/C16H22N2O6.C12H23N/c1-16(2,3)24-15(22)18-12(13(19)20)9-17-14(21)23-10-11-7-5-4-6-8-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,18,22)(H,19,20);11-13H,1-10H2

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Base Information
Chemical Information

Bolling_Point:	N/A
CAS:	81306-94-7
MF:	C28H45N3O6
Density:	N/A
Melting_Point:	N/A
Product_Name:	N-cyclohexylcyclohexanamine,2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)propanoic acid
Flash_Point:	N/A
FW:	519.673

MF:	C28H45N3O6
LogP:	6.30480
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :4 ', '3. Hydrogen Bond Acceptor Count :7 ', '4. Rotatable Bond Count :11 ', '5. Isotope Atom Count :4 ', '6. TPSA 126 ', '7. Heavy Atom Count :37 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :556 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :2']
Exact_Mass:	519.330811
FW:	519.673
PSA:	125.99000