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Ethyl 3-aminobenzoate

Ethyl 3-aminobenzoate structure

CAS No:
582-33-2
Formula:
C9H11NO2
Chemical Name:
Ethyl 3-aminobenzoate
Synonyms:
Benzoic acid,3-amino-,ethyl ester;Benzoic acid,m-amino-,ethyl ester;Ethyl m-aminobenzoate;Ethyl 3-aminobenzoate;m-Ethoxycarbonylaniline;3-(Ethoxycarbonyl)aniline;3-Carbethoxyaniline;3-Aminobenzoic acid ethyl ester;m-Aminobenzoic acid ethyl ester;(3-(Ethoxycarbonyl)phenyl)amine;NSC 39593;3-Ethoxycarbonylbenzeneamine;1865741-15-6
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

clear yellow to light brown liquid or low melting

Tricaine is a benzoate ester that is the ethyl ester of 3-aminobenzoic acid. Used (in the form of its methanesulfonate salt) as an anaesthetic for fish. It has a role as a general anaesthetic. It is a benzoate ester and a substituted aniline. It derives from a 3-aminobenzoic acid. It is a conjugate base of a tricaine(1+).|Tricaine (as tricaine methanesulfonate) is white powder used for anesthesia, sedation, or euthanasia of fish. It is also the only anesthetic licensed in the United States for use in fin fish that are intended for human consumption.

Ethyl 3-aminobenzoate Basic Attributes

Molecular Weight：

165.19

Exact Mass：

165.19

EC Number：

209-482-9

UNII：

02591PHL19

NSC Number：

39593

DSSTox ID：

DTXSID1044011

HScode：

2922499990

Characteristics

PSA：

52.3

XLogP3：

1.8

Appearance：

Clear brown liquid.

Density：

1.1248 g/cm³ @ Temp: 22 °C

Melting Point：

33-35 °C

Boiling Point：

294 °C

Flash Point：

151.2±17.4 °C

Refractive Index：

1.555

Storage Conditions：

Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S37/39

Marks：

Xi:Irritant;

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P280-P304 + P340 + P312-P305 + P351 + P338-P337 + P313

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Agents that are capable of inducing a total or partial loss of sensation, especially tactile sensation and pain. They may act to induce general ANESTHESIA, in which an unconscious state is achieved, or may act locally to induce numbness or lack of sensation at a targeted site. (See all compounds classified as Anesthetics.)

MeSH Entry Terms：

ethyl m-aminobenzoate methanesulfonate

Ethyl 3-aminobenzoate Use and Manufacturing

Manufacturing Info：

Benzoic acid, 3-amino-, ethyl ester: ACTIVE

Computed Properties

Molecular Weight:165.19
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:165.078978594
Monoisotopic Mass:165.078978594
Topological Polar Surface Area:52.3
Heavy Atom Count:12
Complexity:159
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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