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259222-02-1 | Carbamic acid, [6-[(9-acridinylcarbonyl)amino]hexyl]-, 1,1-dimethylethyl ester (9CI)
CAS No: 259222-02-1 Catalog No: AG002R2E MDL No:MFCD06658383
Product Description
Catalog Number:
AG002R2E
Chemical Name:
Carbamic acid, [6-[(9-acridinylcarbonyl)amino]hexyl]-, 1,1-dimethylethyl ester (9CI)
CAS Number:
259222-02-1
Molecular Formula:
C25H31N3O3
Molecular Weight:
421.5319
MDL Number:
MFCD06658383
IUPAC Name:
tert-butyl N-[6-(acridine-9-carbonylamino)hexyl]carbamate
InChI:
InChI=1S/C25H31N3O3/c1-25(2,3)31-24(30)27-17-11-5-4-10-16-26-23(29)22-18-12-6-8-14-20(18)28-21-15-9-7-13-19(21)22/h6-9,12-15H,4-5,10-11,16-17H2,1-3H3,(H,26,29)(H,27,30)
InChI Key:
OMSZQCMQRYAYLA-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCCCCCNC(=O)c1c2ccccc2nc2c1cccc2
Properties
Complexity:
567
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.237g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
421.541g/mol
Monoisotopic Mass:
421.237g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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