对氨基苯甲酸丙酯

Description

propyl p-aminobenzoate · CAS 94-12-2 · C10H13NO2. UNII 5CQ88I59ZI. Melting Point: 75 °C; Solubility: In water, 842 mg/L at 37 °C; LogP: log Kow = 2.43.

Identification

CAS Registry Number	94-12-2
PubChem CID	7174
Molecular formula	C10H13NO2
IUPAC name	propyl 4-aminobenzoate
UNII (FDA)	5CQ88I59ZI

Computed Descriptors

Molecular Weight	179.22
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	179.094628657
Monoisotopic Mass	179.094628657
Topological Polar Surface Area	52.3
Heavy Atom Count	13
Formal Charge	0

Physical & Chemical Properties

Melting Point	75 °C
Solubility	In water, 842 mg/L at 37 °C
LogP	log Kow = 2.43
LogP	2.43
Other Experimental Properties	7.31 MG/CU M= 1 PPM

Physical description & handling notes

• Prisms
• Very soluble in benzene, ether, ethanol, chloroform
• 8.15X10-4 mm Hg at 25 °C /Estimated/
• Henry's Law constant = 2.2X10-8 atm-cu m/mole at 25 °C /Estimated/
• pKa = 2.49 (conjugate acid)
• Hydroxyl radical reaction rate constant = 3.8X10-11 cu cm/molecule-sec at 25 °C /Estimated/

GHS Hazard Classification

Reported hazard statements	H315 (100%), H319 (100%)

Documented Uses

• Propyl p-aminobenzoate is used as local anesthetic and antipruritic.
• The relations between chemical structures, physicochemical properties, chemical reactivity and local anesthetic activity in the iso anesthesin series was studied. The duration of action of propesin was 14 min in rabbits.
• Some local anesthetics.../are/ poorly soluble in water and...too slowly absorbed to be toxic. They can be applied directly to wounds and ulcerated surfaces where they remain localized for long periods of time... The most important members...are benzocaine, USP (...anesthesin)... /anesthesin/
• Synthesis and properties: Buchi et al, Arzneimittel-Forsch, 18: 791 (1968). Alternate prepn: Kadaba et al, J Pharm Sci, 58 1422 (1969).
• Orally or sc administered PABA esters are rapidly hydrolyzed by mammalian system to the alcohol and the free acid. /PABA esters/

Synonyms

Risocaine; Propyl 4-aminobenzoate; 94-12-2; Propyl p-aminobenzoate; 4-(Propoxycarbonyl)aniline; Benzoic acid, 4-amino-, propyl ester; NSC-23516; Benzoic acid, p-amino-, propyl ester; p-Aminobenzoic acid propyl ester; DTXSID3046299; NSC23516; 5CQ88I59ZI; DTXCID1026299; RefChem:883651; 202-306-1; Propazyl

Frequently Asked Questions

What are the CAS number and molecular formula of propyl p-aminobenzoate?

CAS 94-12-2; molecular formula C10H13NO2; molecular weight — g/mol.

What other names is propyl p-aminobenzoate known by?

Risocaine, Propyl 4-aminobenzoate, 94-12-2, Propyl p-aminobenzoate, 4-(Propoxycarbonyl)aniline, Benzoic acid, 4-amino-, propyl ester.

Is propyl p-aminobenzoate classified as hazardous?

Hazard statements reported: H315, H319.

What are the key physical properties of propyl p-aminobenzoate?

Melting Point: 75 °C; Solubility: In water, 842 mg/L at 37 °C; LogP: log Kow = 2.43; LogP: 2.43.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.