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810681-28-8 | Benzenemethanamine,N,N-dimethyl-, N-oxide, hydrate (1:1)
CAS No: 810681-28-8 Catalog No: AG00502U MDL No:
Product Description
Catalog Number:
AG00502U
Chemical Name:
Benzenemethanamine,N,N-dimethyl-, N-oxide, hydrate (1:1)
CAS Number:
810681-28-8
Molecular Formula:
C9H15NO2
Molecular Weight:
169.2209
IUPAC Name:
N,N-dimethyl-1-phenylmethanamine oxide;hydrate
InChI:
InChI=1S/C9H13NO.H2O/c1-10(2,11)8-9-6-4-3-5-7-9;/h3-7H,8H2,1-2H3;1H2
InChI Key:
FSFJMQJXOHSLCV-UHFFFAOYSA-N
SMILES:
[O-][N+](Cc1ccccc1)(C)C.O
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.224g/mol
Monoisotopic Mass:
169.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
19.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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