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2641-72-7

2641-72-7 | Aziridinium, 1,1-dimethyl-2-phenyl-

CAS No: 2641-72-7 Catalog No: AG002T3Q MDL No:

Product Description

Catalog Number:
AG002T3Q
Chemical Name:
Aziridinium, 1,1-dimethyl-2-phenyl-
CAS Number:
2641-72-7
Molecular Formula:
C10H14N+
Molecular Weight:
148.2249
IUPAC Name:
1,1-dimethyl-2-phenylaziridin-1-ium
InChI:
InChI=1S/C10H14N/c1-11(2)8-10(11)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3/q+1
InChI Key:
DYIMPZBCNGBMRV-UHFFFAOYSA-N
SMILES:
C[N+]1(C)CC1c1ccccc1

Properties

Complexity:
145  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.113g/mol
Formal Charge:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.229g/mol
Monoisotopic Mass:
148.113g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Literature

Title Journal
Anionic subsites of the catalytic center of acetylcholinesterase from Torpedo and from cobra venom. Proceedings of the National Academy of Sciences of the United States of America 19910715

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