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1289386-01-1 | Carbamic acid, N-[trans-4-[(3-nitro-2-pyridinyl)amino]cyclohexyl]-, 1,1-dimethylethyl ester
CAS No: 1289386-01-1 Catalog No: AG000YL4 MDL No:MFCD18837641
Product Description
Catalog Number:
AG000YL4
Chemical Name:
Carbamic acid, N-[trans-4-[(3-nitro-2-pyridinyl)amino]cyclohexyl]-, 1,1-dimethylethyl ester
CAS Number:
1289386-01-1
Molecular Formula:
C16H24N4O4
Molecular Weight:
336.3862
MDL Number:
MFCD18837641
IUPAC Name:
tert-butyl N-[4-[(3-nitropyridin-2-yl)amino]cyclohexyl]carbamate
InChI:
InChI=1S/C16H24N4O4/c1-16(2,3)24-15(21)19-12-8-6-11(7-9-12)18-14-13(20(22)23)5-4-10-17-14/h4-5,10-12H,6-9H2,1-3H3,(H,17,18)(H,19,21)
InChI Key:
CSASRJFSOBYKCA-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H]1CC[C@H](CC1)Nc1ncccc1[N+](=O)[O-]
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.18g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
336.392g/mol
Monoisotopic Mass:
336.18g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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