Products for Research Use Only
RegisterLogin

Benzocaine-d4

CAT: 0572-TRC-B197952-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-B197952-2.5MGSize:2.5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
342611-08-9
Synonyms
Benzoic-2,3,5,6-d4 acid, 4-amino-, ethyl ester (9CI); Benzocaine-d4; Benzocaine-d4 (phenyl D4)
Hazard Statement
Toxic to aquatic life.
Purity
>95% (HPLC)
Smiles
[2H]c1c([2H])c(C(=O)OCC)c([2H])c([2H])c1N
Molecular Formula
C9 2H4 H7 N O2
Molecular Weight
169.21
InChI
InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3/i3D,4D,5D,6D
Additionnal Information
IUPAC name: ethyl 4-amino-2,3,5,6-tetradeuteriobenzoate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Ethyl 4-amino(~2~H_4_)benzoate
CAS Number342611-08-9
PubChem CID45038201
IUPAC Nameethyl 4-amino-2,3,5,6-tetradeuteriobenzoate
Molecular FormulaC9H11NO2
Molecular Weight169.21
XLogP1.9
Topological Polar Surface Area52.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity151
SMILES
[2H]C1=C(C(=C(C(=C1C(=O)OCC)[2H])[2H])N)[2H]
InChI
InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3/i3D,4D,5D,6D
InChIKey
BLFLLBZGZJTVJG-LNFUJOGGSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 4-amino(~2~H_4_)benzoate
CAS: 342611-08-9
CID: 45038201
Formula: C9H11NO2
MW: 169.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight169.21
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass169.104085577
Monoisotopic Mass169.104085577
Topological Polar Surface Area52.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity151
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TRC-B202970-5GBenzocaine
TRC-B202970-100GBenzocaine
TRC-B202972-10MGBenzocaine-13C6
TRC-B203000-10MGBenzocaine Methanethiosulfonate
TRC-B203003-100MGBenzocaine Hydrochloride
TRC-B203000-2MGBenzocaine Methanethiosulfonate
TRC-B203000-5MGBenzocaine Methanethiosulfonate
TRC-F697300-100MGN-Formyl Benzocaine
TRC-B299110-250MGBenzocaine Impurity 6
TRC-F697300-1GN-Formyl Benzocaine

Alternative Products

CatalogName
HY-Y0258S-01Benzocaine-d4
T0924-01Benzocaine
EB15797-01Benzocaine fructoside

Popular Products