Neostigmine Bromide Impurity 4

CAT: 1299-RM-N051504-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-N051504-01Size:10 mg

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CAS Number

19962-04-0

Synonyms

3-aminophenyl dimethylcarbamate

Molecular Formula

C9H12N2O2

Molecular Weight

180.2

Target Alternative Name

Neostigmine

Product Name Synonym

3-aminophenyl dimethylcarbamate

Chemical Information

3-Aminophenyl dimethylcarbamate

CAS Number	19962-04-0
PubChem CID	29877
IUPAC Name	(3-aminophenyl) N,N-dimethylcarbamate
Molecular Formula	C9H12N2O2
Molecular Weight	180.20
XLogP	0.9
Topological Polar Surface Area	55.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	182

SMILES

CN(C)C(=O)OC1=CC=CC(=C1)N

InChI

InChI=1S/C9H12N2O2/c1-11(2)9(12)13-8-5-3-4-7(10)6-8/h3-6H,10H2,1-2H3

InChIKey

LKEQZFMJKLCAEA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 19962-04-0

CID: 29877

Formula: C9H12N2O2

MW: 180.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	180.20
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	180.089877630
Monoisotopic Mass	180.089877630
Topological Polar Surface Area	55.6 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	182
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
RM-N051516-01	Neostigmine Bromide Impurity 16
RM-N051511-01	Neostigmine Bromide Impurity 11
RM-N051506-01	Neostigmine Bromide Impurity 6
RM-N051514-01	Neostigmine Bromide Impurity 14
RM-N051507-01	Neostigmine Bromide Impurity 7
RM-N051518-01	Neostigmine Bromide Impurity 18
RM-N051517-01	Neostigmine Bromide Impurity 17
RM-N051515-01	Neostigmine Bromide Impurity 15
RM-N051505-01	Neostigmine Bromide Impurity 5
RM-N051513-01	Neostigmine Bromide Impurity 13

Catalog	Name
TMIJ-0504-01	Neostigmine Bromide EP Impurity C-d6
B1594-500	Neostigmine Bromide
HY-B0423-01	Neostigmine (Bromide)
HY-B0423R-01	Neostigmine (Bromide) (Standard)
MBS385998-01	Neostigmine bromide (Prostigmin)
A10635-1000	Neostigmine bromide (Prostigmin) 1000mg
A10635-500	Neostigmine bromide (Prostigmin) 500mg
A10635-100	Neostigmine bromide (Prostigmin) 100mg
A10635-250	Neostigmine bromide (Prostigmin) 250mg
285119-01	Neostigmine bromide discontinued. See N1062