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15831-63-7 | Ethanol, 2-[methyloxido(phenylmethyl)amino]-
CAS No: 15831-63-7 Catalog No: AG001Q4C MDL No:
Product Description
Catalog Number:
AG001Q4C
Chemical Name:
Ethanol, 2-[methyloxido(phenylmethyl)amino]-
CAS Number:
15831-63-7
Molecular Formula:
C10H14NO2-
Molecular Weight:
180.2237
IUPAC Name:
N-benzyl-2-hydroxy-N-methylethanamine oxide
InChI:
InChI=1S/C10H15NO2/c1-11(13,7-8-12)9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3
InChI Key:
MJQPYETZBGKFSD-UHFFFAOYSA-N
SMILES:
OCCN(C(c1ccccc1)C)[O-]
NSC Number:
100747
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.235g/mol
Monoisotopic Mass:
181.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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