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N,N'-1,3-Phenylenebis(acetamide)

HCID 82506
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Basic information

CAS
10268-78-7
Standard SMILES
CC(=O)Nc1cccc(NC(C)=O)c1
InChIKey
UQVKNKXDSWRQJE-UHFFFAOYSA-N
Molecular formula
C10H12N2O2
Average molar mass
192.21 g/mol
Monoisotopic mass
192.08987763

Names & identifiers

Preferred name
N,N'-1,3-Phenylenebis(acetamide)
IUPAC
N-(3-acetamidophenyl)acetamide
English name
N,N'-(m-phenylene)di(acetamide)
Molecular formula
C10H12N2O2
Molecular weight
192.21

Names & synonyms

10268-78-71,3-BisacetamidobenzeneAcetamide, N,N'-1,3-phenylenebis-1,3-Diacetamidobenzenem-PhenylenediacetamideI720DIF1VXNSC-7204NSC-62829N,N'-1,3-PHENYLENEBIS(ACETAMIDE)N,N'-1,3-Phenylenebis[acetamide]RefChem:1090246233-609-7
Show more names
1,3-Bis(acetylamino)benzeneN,N'-(m-Phenylene)bisacetamideN,N'-1,3-Phenylenebis[acetamideN,N'-(1,3-Phenylene)bisacetamideN,N’-diethylacylmetabenzenediamine
N,N'-(1,3-Phenylene)diacetamideN-(3-acetamidophenyl)acetamideN,N'-(m-Phenylene)di(acetamide)MFCD00035792N,N'-Diacetyl-1,3-phenylenediamineNSC 62829Acetamide, N,N'-m-phenylenebis-Acetamide, N,N'-m-phenylenebis- (6CI,7CI,8CI)

Database identifiers

CAS
10268-78-7
PubChem CID
82506
DTXSID
DTXSID10145451
UNII
I720DIF1VX
EC Number
233-609-7
Nikkaji
J29.460H

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
58.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
14
Formal charge
0
Complexity
206

Experimental & physicochemical properties

LogP0.5

Physicochemical properties

Melting point
185 · 185-186 °C
Boiling point
475.2 · 475.2±28.0 °C(Predicted)
Density
1.235 · 1.235±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
14.41 · 14.41±0.70(Predicted)
FDA UNII
720 DIF1VX · I720DIF1VX
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302
Precautionary statements
261 · P261-P280-P305+P351+P338-P304+P340
HS Code
2924297099 · 2924297099

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
2924297099
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302
Precautionary statements
P261-P280-P305+P351+P338-P304+P340

Chemistry & industry

Upstream & downstream products

Downstream products

4-Nitro-1,3-phenylenediamine1,2,4,5-BenzenetetraMine

Related reactions

4 records
New reaction record
HRID 359908 reaction equation
HRID 359908As productuspto-grants-1991_03
HRID 867144 reaction equation
HRID 867144As reactantuspto-grants-1978_07
HRID 1208772 reaction equation
HRID 1208772As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1976518 reaction equation
HRID 1976518As productuspto-grants-2001_05

Compound notes

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