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N-benzyl-N-methyl-3-nitropyridin-2-amine

HCID 9211491
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CN(Cc1ccccc1)c1ncccc1[N+](=O)[O-]
InChIKey
NCWDGZCMLBIBJE-UHFFFAOYSA-N
Molecular formula
C13H13N3O2
Average molar mass
243.26 g/mol

Names & identifiers

Preferred name
N-benzyl-N-methyl-3-nitropyridin-2-amine
IUPAC
N-benzyl-N-methyl-3-nitropyridin-2-amine

Names & synonyms

N-benzyl-N-methyl-3-nitropyridin-2-amineSCHEMBL1699196NCWDGZCMLBIBJE-UHFFFAOYSA-NAKOS034154035Z31196613

Database identifiers

PubChem CID
9211491

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
62 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
Formal charge
0
Complexity
274

Related reactions

9 records
New reaction record
HRID 82582 reaction equation
HRID 82582As productuspto-grants-2014_09
HRID 82583 reaction equation
HRID 82583As reactantuspto-grants-2014_09
HRID 587501 reaction equation
HRID 587501As productuspto-grants-2016_01
HRID 587502 reaction equation
HRID 587502As reactantuspto-grants-2016_01
HRID 1044205 reaction equation
HRID 1044205As productuspto-grants-2013_10
HRID 1044206 reaction equation
HRID 1044206As reactantuspto-grants-2013_10
HRID 1201350 reaction equation
HRID 1201350As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1429957 reaction equation
HRID 1429957As productuspto-grants-2015_01
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Compound notes

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