N-Octadecyl-m-nitrobenzamide

CAT: 0127-OR1043889Size: 10 gDry Ice: NoHazardous: No

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CAT#:0127-OR1043889Size:10 g

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CAS Number

109799-65-7

Synonyms

M-Nitro-N-octadecylbenzamide

Purity

95%

Chemical Information

N-Octadecyl m-nitrobenzamide

CAS Number	109799-65-7
PubChem CID	145462
IUPAC Name	3-nitro-N-octadecylbenzamide
Molecular Formula	C25H42N2O3
Molecular Weight	418.6
XLogP	8.7
Topological Polar Surface Area	74.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	18
Heavy Atom Count	30
Formal Charge	0
Complexity	437

SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C25H42N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-25(28)23-19-18-20-24(22-23)27(29)30/h18-20,22H,2-17,21H2,1H3,(H,26,28)

InChIKey

MBGMGVISROGRGY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 109799-65-7

CID: 145462

Formula: C25H42N2O3

MW: 418.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	418.6
XLogP3	8.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	18
Exact Mass	418.31954321
Monoisotopic Mass	418.31954321
Topological Polar Surface Area	74.9 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	437
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BUP17267	Sodium N-Octadecyl Sulfate
OR912541-01	N, N-Dimethyl-3-nitrobenzamide
OR111133-01	N, N-Diisopropyl-4-nitrobenzamide
OR111112-01	N, N-Dimethyl-4-nitrobenzamide
OR912583-01	N-Ethyl-3-nitrobenzamide
OR962552-01	N-Methyl-4-nitrobenzamide
OR1101403-01	N, N-Diethyl-4-nitrobenzamide
OR912573-01	N-Methyl-3-nitrobenzamide
OR1062787-01	N-Isopropyl-3-nitrobenzamide
OR962553-01	N-Ethyl-4-nitrobenzamide

Catalog	Name
N06696-01	M-Nitrobenzamide 97%
GTR19268331-01	N-Octadecyl-pSar25
04673-10	N- (n-Octadecyl) acrylamide
AMB89174-01	N-Octadecyl-N'-propylsulfamide
C4735-10	N-Octadecyl-N'-propyl-sulfamide
TN7170	Sodium N-Octadecyl Sulfate
TRC-O235481-2.5MG	n-Octadecyl-d37 Alcohol
FD172088-01	N, N-Dimethylcephalin octadecyl ester
FM172286-01	N-Methylcephalin octadecyl ester
SAA36909-01	N-Octadecyl-p-toluenesulphonamide