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Home > Nitro Compounds > 761440-39-5
761440-39-5 | [1-(3-Methoxy-4-nitro-phenyl)-piperidin-4-yl]-Methyl-carbaMic acid tert-butyl ester
CAS No: 761440-39-5 Catalog No: AG00G7CA MDL No:MFCD22631635
Product Description
Catalog Number:
AG00G7CA
Chemical Name:
[1-(3-Methoxy-4-nitro-phenyl)-piperidin-4-yl]-Methyl-carbaMic acid tert-butyl ester
CAS Number:
761440-39-5
Molecular Formula:
C18H27N3O5
Molecular Weight:
365.4241
MDL Number:
MFCD22631635
IUPAC Name:
tert-butyl N-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]-N-methylcarbamate
InChI:
InChI=1S/C18H27N3O5/c1-18(2,3)26-17(22)19(4)13-8-10-20(11-9-13)14-6-7-15(21(23)24)16(12-14)25-5/h6-7,12-13H,8-11H2,1-5H3
InChI Key:
WJGXUQWOEIKACI-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1[N+](=O)[O-])N1CCC(CC1)N(C(=O)OC(C)(C)C)C
Properties
Complexity:
494
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:
0
Isotope Atom Count:
0
Molecular Weight:
365.43g/mol
Monoisotopic Mass:
365.195g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
87.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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