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Dimethocaine-d4 Hydrochloride

CAT: 0572-TRC-D460547-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D460547-10MGSize:10 mg
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CAS Number
1346601-45-3
Synonyms
1-Amino(benz-d4-oyl)-2,2-dimethyl-3-diethylaminopropanol Hydrochloride; 3-Diethylamino-2,2-dimethylpropyl p-amino(benz-d4-oate) Hydrochloride; Diethylaminoneopentyl Alcohol Hydrochloride p-Amino(benz-d4-oate); Larocaine-d4 Hydrochloride;
Hazard Statement
No Data Available
Smiles
Cl.[2H]c1c([2H])c(C(=O)OCC(C)(C)CN(CC)CC)c([2H])c([2H])c1N
Molecular Formula
C16H23D4ClN2O2
Molecular Weight
318.88
Shipping Conditions
Room Temperature

Chemical Information

Dimethocaine-d4 Hydrochloride
CAS Number1346601-45-3
PubChem CID131668024
IUPAC Name[3-(diethylamino)-2,2-dimethylpropyl] 4-amino-2,3,5,6-tetradeuteriobenzoate;hydrochloride
Molecular FormulaC16H27ClN2O2
Molecular Weight318.87
Topological Polar Surface Area55.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count21
Formal Charge0
Complexity293
SMILES
[2H]C1=C(C(=C(C(=C1C(=O)OCC(C)(C)CN(CC)CC)[2H])[2H])N)[2H].Cl
InChI
InChI=1S/C16H26N2O2.ClH/c1-5-18(6-2)11-16(3,4)12-20-15(19)13-7-9-14(17)10-8-13;/h7-10H,5-6,11-12,17H2,1-4H3;1H/i7D,8D,9D,10D;
InChIKey
WWTWKTDXBNHESE-KQWCWKDASA-N
Chemical Structure
2D Structure
2D structure of Dimethocaine-d4 Hydrochloride
CAS: 1346601-45-3
CID: 131668024
Formula: C16H27ClN2O2
MW: 318.87
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight318.87
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass318.2012128
Monoisotopic Mass318.2012128
Topological Polar Surface Area55.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity293
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes