Tetracaine Impurity 12

CAT: 1596-AR-T04645-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-T04645-01Size:10 Units

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

92726-05-1

Synonyms

4- (Dibutylamino) benzoic acid

Molecular Formula

C15H23NO2

Molecular Weight

249.35

API Name

Tetracaine

Chemical Information

4-(Dibutylamino)benzoic acid

CAS Number	92726-05-1
PubChem CID	296063
IUPAC Name	4-(dibutylamino)benzoic acid
Molecular Formula	C15H23NO2
Molecular Weight	249.35
XLogP	4.1
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Heavy Atom Count	18
Formal Charge	0
Complexity	227

SMILES

CCCCN(CCCC)C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C15H23NO2/c1-3-5-11-16(12-6-4-2)14-9-7-13(8-10-14)15(17)18/h7-10H,3-6,11-12H2,1-2H3,(H,17,18)

InChIKey

HSVJMWXLGNHXNV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 92726-05-1

CID: 296063

Formula: C15H23NO2

MW: 249.35

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	249.35
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Exact Mass	249.172878976
Monoisotopic Mass	249.172878976
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	227
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes