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229007-08-3 | 2H-Pyran-4-amine, tetrahydro-N-methyl-N-[(4-nitrophenyl)methyl]-
CAS No: 229007-08-3 Catalog No: AG002LE6 MDL No:
Product Description
Catalog Number:
AG002LE6
Chemical Name:
2H-Pyran-4-amine, tetrahydro-N-methyl-N-[(4-nitrophenyl)methyl]-
CAS Number:
229007-08-3
Molecular Formula:
C13H18N2O3
Molecular Weight:
250.2936
IUPAC Name:
N-methyl-N-[(4-nitrophenyl)methyl]oxan-4-amine
InChI:
InChI=1S/C13H18N2O3/c1-14(12-6-8-18-9-7-12)10-11-2-4-13(5-3-11)15(16)17/h2-5,12H,6-10H2,1H3
InChI Key:
ACGFPZIJPPEUEQ-UHFFFAOYSA-N
SMILES:
CN(C1CCOCC1)Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.132g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.298g/mol
Monoisotopic Mass:
250.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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