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13957-33-0 | Benzeneethanaminium, 3-hydroxy-N,N,N-trimethyl-
CAS No: 13957-33-0 Catalog No: AG001BAD MDL No:
Product Description
Catalog Number:
AG001BAD
Chemical Name:
Benzeneethanaminium, 3-hydroxy-N,N,N-trimethyl-
CAS Number:
13957-33-0
Molecular Formula:
C11H18NO+
Molecular Weight:
180.2667
IUPAC Name:
2-(3-hydroxyphenyl)ethyl-trimethylazanium
InChI:
InChI=1S/C11H17NO/c1-12(2,3)8-7-10-5-4-6-11(13)9-10/h4-6,9H,7-8H2,1-3H3/p+1
InChI Key:
VLDBEZDOSUKOBS-UHFFFAOYSA-O
SMILES:
Oc1cccc(c1)CC[N+](C)(C)C
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.139g/mol
Formal Charge:
1
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.271g/mol
Monoisotopic Mass:
180.139g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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