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4-Aminobenzoate

4-Aminobenzoate structure

CAS No:
2906-28-7
Formula:
C7H6NO2
Chemical Name:
4-Aminobenzoate
Synonyms:
Benzoic acid,4-amino-,ion(1-);Benzoic acid,p-amino-,ion(1-);p-Aminobenzoate;4-Aminobenzoate ion;p-Aminobenzoate anion;p-Aminobenzoic acid anion;4-Aminobenzoate;4-Aminobenzoic acid,ion(1-)

Description

4-aminobenzoate is an aromatic amino-acid anion that is the conjugate base of 4-aminobenzoic acid. It has a role as an Escherichia coli metabolite, a plant metabolite and a Saccharomyces cerevisiae metabolite. It is an aromatic amino-acid anion and an aminobenzoate. It derives from a benzoate. It is a conjugate base of a 4-aminobenzoic acid.|Benzoic acids, salts, or esters that contain an amino group attached to carbon number 4 of the benzene ring structure.

4-Aminobenzoate Basic Attributes

Molecular Weight：

136.12804

Exact Mass：

136.04

DSSTox ID：

DTXSID40183306

Characteristics

PSA：

66.2

XLogP3：

1.5

Density：

1.315g/cm3

Melting Point：

188.5ºC

Boiling Point：

339.9ºC at 760mmHg

Flash Point：

159.4ºC

Collision Cross Section：

140.4 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|126.9 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

Drug Information

Metabolism/Metabolites：

4-aminobenzoate has known human metabolites that include 4-acetylaminobenzoate.

MeSH Entry Terms：

4 Aminobenzoate

Computed Properties

Molecular Weight:136.13
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:136.039853434
Monoisotopic Mass:136.039853434
Topological Polar Surface Area:66.2
Heavy Atom Count:10
Formal Charge:-1
Complexity:122
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Aminobenzoate

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties
Learn More Other Chemicals

4-Aminobenzoate

SDS

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