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NAP 226-90-d6

CAT: 0572-TRC-N325002-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N325002-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1217706-31-4
Synonyms
3-[(1S)-1-(Bis(trideuteriomethyl)amino)ethyl]phenol; (S)-3-[1-(Dimethylamino)ethyl]phenol-D6 (N,N-dimethyl-D6); (S)-3-[1-[Di(methyl-d3)amino]ethyl]phenol; NAP 226-90-d6; Dimetol-d6 (N,N-dimethyl-d6)
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])N([C@@H](C)c1cccc(O)c1)C([2H])([2H])[2H]
Molecular Formula
C10 2H6 H9 N O
Molecular Weight
171.27
InChI
InChI=1S/C10H15NO/c1-8(11(2)3)9-5-4-6-10(12)7-9/h4-8,12H,1-3H3/t8-/m0/s1/i2D3,3D3
Additionnal Information
IUPAC name: 3-[(1S)-1-[bis(trideuteriomethyl)amino]ethyl]phenol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

CID 46782439
CAS Number1217706-31-4
PubChem CID46782439
IUPAC Name3-[(1S)-1-[bis(trideuteriomethyl)amino]ethyl]phenol
Molecular FormulaC10H15NO
Molecular Weight171.27
XLogP1.8
Topological Polar Surface Area23.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity136
SMILES
[2H]C([2H])([2H])N([C@@H](C)C1=CC(=CC=C1)O)C([2H])([2H])[2H]
InChI
InChI=1S/C10H15NO/c1-8(11(2)3)9-5-4-6-10(12)7-9/h4-8,12H,1-3H3/t8-/m0/s1/i2D3,3D3
InChIKey
GQZXRLWUYONVCP-MXUURUABSA-N
Chemical Structure
2D Structure
2D structure of CID 46782439
CAS: 1217706-31-4
CID: 46782439
Formula: C10H15NO
MW: 171.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight171.27
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass171.153024578
Monoisotopic Mass171.153024578
Topological Polar Surface Area23.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity136
Isotope Atom Count6
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes