N-Methyl-4-nitroaniline

CAT: 1489-N2920-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:1489-N2920-01Size:5 g

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CAS Number

100-15-2

Chemical Information

N-Methyl-4-nitroaniline

N-methyl-4-nitroaniline appears as brownish-yellow prisms with violet reflex (from ethanol) or yellow powder. (NTP, 1992)

CAS Number	100-15-2
PubChem CID	7483
IUPAC Name	N-methyl-4-nitroaniline
Molecular Formula	C7H8N2O2
Molecular Weight	152.15
XLogP	2
Topological Polar Surface Area	57.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	136

SMILES

CNC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C7H8N2O2/c1-8-6-2-4-7(5-3-6)9(10)11/h2-5,8H,1H3

InChIKey

XIFJZJPMHNUGRA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 100-15-2

CID: 7483

Formula: C7H8N2O2

MW: 152.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	152.15
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	152.058577502
Monoisotopic Mass	152.058577502
Topological Polar Surface Area	57.9 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	136
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
F7700-01	4-Fluoro-2-Methoxy-5-Nitroaniline
N2930-01	N- (4-aminophenyl) -N-methyl-2- (4-methylpiperazin-1-yl) acetamide
M7930-01	N-Methyl-N- (trimethylsilyl) trifluoroacetamide
H7370	7H-Pyrrolo[2,3-d]pyriMidin-4-aMine, N-Methyl-N-[ (3R,4R) -4-Methyl-1- (phenylMethyl) -3-piperidinyl]-
M8990-01	Methyl 4-Hydroxybenzoate
M7240-01	Methyl 4-formylbenzoate
C2410	CIS-N-BENZYL-3-METHYLAMINO-4-METHYL-PIPERIDINE BIS- (HYDROCHLORIDE)
N2940-01	N-methyl-N- ((3R,4R) -4-methylpiperidin-3-yl) -7H-pyrrolo[2,3-d]pyrimidin-4-amine
N8830-01	N-Methyl-D-aspartic acid
D5100-01	N- (4-IODOPHENYL) -N-PHENYLBENZENAMINE

Catalog	Name
459423-01	N-Methyl-4-nitroaniline
OR1100784-01	N-benzyl-N-methyl-4-nitroaniline
OR936889-01	N-Cyanomethyl-N-methyl-4-nitroaniline
CS-O-42373	N, N-di (methyl-d3) -4-nitroaniline
MBA63758-01	N-Ethyl-4-methyl-2-nitroaniline
BIA15713	N-Benzyl-2-methyl-4-nitroaniline
ZAA77312-01	4-Fluoro-N-methyl-3-nitroaniline
sc-290094A	4-Bromo-N-methyl-2-nitroaniline
sc-313279	3-Methoxy-N-methyl-4-nitroaniline
425450-01	3-Ethoxy-N-methyl-4-nitroaniline