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Nor Neostigmine

CAT: 0572-TRC-N824400-2.5GSize: 2.5 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-N824400-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16088-19-0
Synonyms
Dimethylcarbamic Acid 3-(Dimethylamino)phenyl Ester; Dimethylcarbamic Acid m-(Dimethylamino)phenyl Ester; 3-(Dimethylamino)phenyl Dimethylcarbamate; Norneostigmine;
Hazard Statement
Fatal if swallowed; UN number: UN2811; Packing Group: II
Purity
>95% (HPLC)
Smiles
CN(C)C1=CC(=CC=C1)OC(=O)N(C)C
Molecular Formula
C11H16N2O2
Molecular Weight
208.26
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3-(Dimethylamino)phenyl N,N-dimethylcarbamate

structure given in first source

CAS Number16088-19-0
PubChem CID44957
IUPAC Name[3-(dimethylamino)phenyl] N,N-dimethylcarbamate
Molecular FormulaC11H16N2O2
Molecular Weight208.26
XLogP1.8
Topological Polar Surface Area32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity217
SMILES
CN(C)C1=CC(=CC=C1)OC(=O)N(C)C
InChI
InChI=1S/C11H16N2O2/c1-12(2)9-6-5-7-10(8-9)15-11(14)13(3)4/h5-8H,1-4H3
InChIKey
FWNHTEHWJKUVPG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(Dimethylamino)phenyl N,N-dimethylcarbamate
CAS: 16088-19-0
CID: 44957
Formula: C11H16N2O2
MW: 208.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight208.26
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass208.121177757
Monoisotopic Mass208.121177757
Topological Polar Surface Area32.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity217
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes