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Home > Nitro Compounds > 1420840-90-9
1420840-90-9 | Carbamic acid, N-[[1-(3-methoxy-4-nitrophenyl)-4-piperidinyl]methyl]-, 1,1-dimethylethyl ester
CAS No: 1420840-90-9 Catalog No: AG001HQK MDL No:MFCD24369835
Product Description
Catalog Number:
AG001HQK
Chemical Name:
Carbamic acid, N-[[1-(3-methoxy-4-nitrophenyl)-4-piperidinyl]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1420840-90-9
Molecular Formula:
C18H27N3O5
Molecular Weight:
365.4241
MDL Number:
MFCD24369835
IUPAC Name:
tert-butyl N-[[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]methyl]carbamate
InChI:
InChI=1S/C18H27N3O5/c1-18(2,3)26-17(22)19-12-13-7-9-20(10-8-13)14-5-6-15(21(23)24)16(11-14)25-4/h5-6,11,13H,7-10,12H2,1-4H3,(H,19,22)
InChI Key:
YBZBVURXJKCDIE-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1[N+](=O)[O-])N1CCC(CC1)CNC(=O)OC(C)(C)C
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.195g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
365.43g/mol
Monoisotopic Mass:
365.195g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
96.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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