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Home > Nitro Compounds > 1023594-62-8
1023594-62-8 | Carbamic acid, N-[1-(2-nitrophenyl)-4-piperidinyl]-, 1,1-dimethylethyl ester
CAS No: 1023594-62-8 Catalog No: AG00078W MDL No:MFCD11041912
Product Description
Catalog Number:
AG00078W
Chemical Name:
Carbamic acid, N-[1-(2-nitrophenyl)-4-piperidinyl]-, 1,1-dimethylethyl ester
CAS Number:
1023594-62-8
Molecular Formula:
C16H23N3O4
Molecular Weight:
321.3715
MDL Number:
MFCD11041912
IUPAC Name:
tert-butyl N-[1-(2-nitrophenyl)piperidin-4-yl]carbamate
InChI:
InChI=1S/C16H23N3O4/c1-16(2,3)23-15(20)17-12-8-10-18(11-9-12)13-6-4-5-7-14(13)19(21)22/h4-7,12H,8-11H2,1-3H3,(H,17,20)
InChI Key:
TWVQFWFIVYGRGW-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCN(CC1)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.169g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.377g/mol
Monoisotopic Mass:
321.169g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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