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N-methoxy-N-methyl-4-nitrobenzamide

HCID 2991007
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Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
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Basic information

CAS
52898-51-8
Standard SMILES
CON(C)C(=O)c1ccc([N+](=O)[O-])cc1
InChIKey
PBWDDHAYEOGPMA-UHFFFAOYSA-N
Molecular formula
C9H10N2O4
Average molar mass
210.19 g/mol
Monoisotopic mass
210.0640568

Names & identifiers

Preferred name
N-methoxy-N-methyl-4-nitrobenzamide
IUPAC
N-methoxy-N-methyl-4-nitrobenzamide
English name
N-methoxy-N-methyl-4-nitrobenzamide
Molecular formula
C9H10N2O4
Molecular weight
210.19

Names & synonyms

N-methoxy-N-methyl-4-nitrobenzamide52898-51-8DTXSID30388141RefChem:364336DTXCID80339163MFCD07183934Benzamide, N-methoxy-N-methyl-4-nitro-SCHEMBL5390211PBWDDHAYEOGPMA-UHFFFAOYSA-NSTL066051N-methoxy-N-methyl-4-nitro-benzamideAKOS000499786
Show more names
AS-8142SB76854SY229996DB-298779N-methoxy-N-methyl(4-nitrophenyl)carboxamideST45047283C78283F217204

Database identifiers

CAS
52898-51-8
PubChem CID
2991007
DTXSID
DTXSID30388141
Nikkaji
J854.437I

Properties

Computed structural propertiesFilling in

XLogP
1.3
Topological polar surface area
75.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
15
Formal charge
0
Complexity
243

Physicochemical properties

storage temp.
2 · 2-8°C
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319
Precautionary statements
264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
HS Code
2928009090 · 2928009090

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

hs_code
2928009090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319
Precautionary statements
P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Related reactions

8 records
New reaction record
HRID 157912 reaction equation
HRID 157912As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 456790 reaction equation
HRID 456790As productuspto-grants-2007_03
HRID 456791 reaction equation
HRID 456791As reactantuspto-grants-2007_03
HRID 526838 reaction equation
HRID 526838As reactantuspto-grants-2016_05
HRID 926465 reaction equation
HRID 926465As productuspto-grants-2016_03
HRID 926466 reaction equation
HRID 926466As reactantuspto-grants-2016_03
HRID 928745 reaction equation
HRID 928745As productuspto-grants-2016_03
HRID 928746 reaction equation
HRID 928746As reactantuspto-grants-2016_03

Compound notes

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