Aminopropoxybenzoic Acid

CAT: 1596-AR-P32912-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P32912-01Size:10 Units

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CAS Number

59691-15-5

Synonyms

3-amino-4-propoxybenzoic acid

Molecular Formula

C10H13NO3

Molecular Weight

195.22

API Name

Proparacaine

Chemical Information

3-Amino-4-propoxybenzoic acid

CAS Number	59691-15-5
PubChem CID	108807
IUPAC Name	3-amino-4-propoxybenzoic acid
Molecular Formula	C10H13NO3
Molecular Weight	195.21
XLogP	1.5
Topological Polar Surface Area	72.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	196

SMILES

CCCOC1=C(C=C(C=C1)C(=O)O)N

InChI

InChI=1S/C10H13NO3/c1-2-5-14-9-4-3-7(10(12)13)6-8(9)11/h3-4,6H,2,5,11H2,1H3,(H,12,13)

InChIKey

UZOZIVWRRZWJMT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 59691-15-5

CID: 108807

Formula: C10H13NO3

MW: 195.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	195.21
XLogP3	1.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	195.08954328
Monoisotopic Mass	195.08954328
Topological Polar Surface Area	72.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	196
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

Catalog	Name
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AR-A05406-01	Acetic Acid Isobutyric Acid Anhydride
AR-A05407-01	Acetic Acid Butyric Acid Anhydride
AR-F09711-01	Docosanoic Acid-d3 (Behenic Acid-d3)
AR-F09706-01	Dodecanoic Acid-d2 (Lauric Acid-d2)
AR-E09459-01	9 (Z) -Eicosenoic Acid (Gadoleic Acid)
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AR-M01254-01	Mefenamic Acid Impurity D (Benzoic Acid)
AR-F09712-01	Docosanoic Acid-d4 (Behenic Acid-d4)

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