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Butacaine

CAT: 0572-TRC-B694295-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B694295-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
149-16-6
Synonyms
3-(Dibutylamino)-1-propanol p-Aminobenzoate; 3-(p-Aminobenzoxy)-1-di-n-butylaminopropane; 3-Dibutylaminopropyl p-Aminobenzoate; Butelline; Butyn; 3-(Dibutylamino)-1-propanol p-Aminobenzoate (Ester);
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
NC1=CC=C(C(OCCCN(CCCC)CCCC)=O)C=C1
Molecular Formula
C18H30N2O2
Molecular Weight
306.44
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Butacaine

4-aminobenzoic acid 3-(dibutylamino)propyl ester is a benzoate ester.

CAS Number149-16-6
PubChem CID2480
IUPAC Name3-(dibutylamino)propyl 4-aminobenzoate
Molecular FormulaC18H30N2O2
Molecular Weight306.4
XLogP4.5
Topological Polar Surface Area55.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Heavy Atom Count22
Formal Charge0
Complexity281
SMILES
CCCCN(CCCC)CCCOC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C18H30N2O2/c1-3-5-12-20(13-6-4-2)14-7-15-22-18(21)16-8-10-17(19)11-9-16/h8-11H,3-7,12-15,19H2,1-2H3
InChIKey
HQFWVSGBVLEQGA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Butacaine
CAS: 149-16-6
CID: 2480
Formula: C18H30N2O2
MW: 306.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight306.4
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Exact Mass306.230728204
Monoisotopic Mass306.230728204
Topological Polar Surface Area55.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity281
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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