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Spiroxamine-d4

CAT: 0572-TRC-S683502-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-S683502-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2469272-82-8
Synonyms
8-(1,1-dimethylethyl)-N-ethyl-N-propyl-1,4-dioxaspiro[4.5]decane-2-methanamine-6,6,10,10-d4
Hazard Statement
Harmful if swallowed; UN number: UN3082; Packing Group: III
Purity
>95% (HPLC)
Smiles
CCN(CC1COC2(C([2H])([2H])CC(C(C)(C)C)CC2([2H])[2H])O1)CCC
Molecular Formula
C18H31D4NO2
Molecular Weight
301.5
InChI
InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3/i10D2,11D2
Additionnal Information
IUPAC name: N-((8-(tert-butyl)-1,4-dioxaspiro[4.5]decan-2-yl-6,6,10,10-d4)methyl)-N-ethylpropan-1-amine
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Spiroxamine-d4
CAS Number2469272-82-8
PubChem CID139024066
IUPAC NameN-[(8-tert-butyl-6,6,10,10-tetradeuterio-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-N-ethylpropan-1-amine
Molecular FormulaC18H35NO2
Molecular Weight301.5
XLogP4.2
Topological Polar Surface Area21.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count21
Formal Charge0
Complexity316
SMILES
[2H]C1(CC(CC(C12OCC(O2)CN(CC)CCC)([2H])[2H])C(C)(C)C)[2H]
InChI
InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3/i10D2,11D2
InChIKey
PUYXTUJWRLOUCW-MKQHWYKPSA-N
Chemical Structure
2D Structure
2D structure of Spiroxamine-d4
CAS: 2469272-82-8
CID: 139024066
Formula: C18H35NO2
MW: 301.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight301.5
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass301.291886343
Monoisotopic Mass301.291886343
Topological Polar Surface Area21.7 Ų
Heavy Atom Count21
Formal Charge0
Complexity316
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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