4-Acetamidobutyric acid

Base Information Edit

Chemical Name:4-Acetamidobutyric acid
CAS No.:3025-96-5
Molecular Formula:C6H11NO3
Molecular Weight:145.158
Hs Code.:29241900
European Community (EC) Number:221-186-1
NSC Number:27423
UNII:3A70KD310L
DSSTox Substance ID:DTXSID50184344
Nikkaji Number:J35.110E
Wikidata:Q27102497
Metabolomics Workbench ID:38386
Mol file:3025-96-5.mol

Synonyms:4-Acetamidobutyric acid;4-acetamidobutanoic acid;3025-96-5;4-(Acetylamino)butanoic acid;N-Acetyl-4-aminobutyric acid;N-Acetyl-4-aminobutanoic acid;Butanoic acid, 4-(acetylamino)-;N-acetyl GABA;BUTYRIC ACID, 4-ACETAMIDO-;4-Acetamidobutanoate;N-Acetyl-gamma-aminobutyrate;gamma-Acetylaminobutyric acid;DF 469;NSC 27423;N4-Acetylaminobutanoate;N-Acetyl-.gamma.-aminobutyric acid;EINECS 221-186-1;N4-Acetylaminobutanoic acid;BRN 1762288;UNII-3A70KD310L;.gamma.-Acetylaminobutyric acid;3A70KD310L;NSC-27423;4-04-00-02604 (Beilstein Handbook Reference);4-acetamidobutyrate;N-acetyl-GABA;4-acetamidobutanoicacid;4-(acetylamino)butyrate;4-acetylaminobutyric acid;4-(Acetylamino)butanoate;N-Acetyl-4-aminobutanoate;bmse000468;4-(acetylamino)butyric acid;Butanoic acid, 4-acetamido-;SCHEMBL285421;N-Acetyl-.gamma.-aminobutyrate;4-(Acetylamino)butanoic acid #;CHEBI:17645;DTXSID50184344;NSC27423;N-Acetyl-gamma-amino-n-butyric acid;DF-469;MFCD00020552;s3358;AKOS000178808;CS-6350;N-Acetyl-.gamma.-amino-n-butyric acid;AS-60736;Butanoic acid, 4-(acetylamino)- (9CI);LS-47782;HY-101411;FT-0617381;EN300-18564;C02946;D87839;A820281;J-017846;Q27102497;Z85888803;C4ACB70B-84C2-4E19-A262-C25088388B3F

Suppliers and Price of 4-Acetamidobutyric acid

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Sigma-Aldrich
4-ACETAMIDOBUTYRIC ACID Aldrich
250mg
$ 133.00

Matrix Scientific
4-(Acetylamino)butanoic acid 97%
1g
$ 29.00

Matrix Scientific
4-(Acetylamino)butanoic acid 97%
10g
$ 202.00

Matrix Scientific
4-(Acetylamino)butanoic acid 97%
50g
$ 709.00

Crysdot
4-Acetamidobutanoicacid 95+%
100g
$ 339.00

ChemScene
4-Acetamidobutanoicacid ≥98.0%
200mg
$ 84.00

Chem-Impex
Acetyl-γ-aminobutyricacid,95%(HPLC) 95%(HPLC)
1G
$ 20.16

Chem-Impex
Acetyl-γ-aminobutyricacid,95%(HPLC) 95%(HPLC)
5G
$ 50.40

Chem-Impex
Acetyl-γ-aminobutyricacid,95%(HPLC) 95%(HPLC)
100G
$ 840.00

Chem-Impex
Acetyl-γ-aminobutyricacid,95%(HPLC) 95%(HPLC)
250G
$ 1926.40

Total 39 raw suppliers

Chemical Property of 4-Acetamidobutyric acid Edit

Chemical Property:

Appearance/Colour:light yellow to beige crystalline powder
Vapor Pressure:1.05E-07mmHg at 25°C
Melting Point:128-131 °C
Refractive Index:1.4772 (estimate)
Boiling Point:405.399 °C at 760 mmHg
PKA:4.65±0.10(Predicted)
Flash Point:198.979 °C
PSA：66.40000
Density:1.133 g/cm³
LogP:0.37820
Storage Temp.:2-8°C
Water Solubility.:Soluble in water (19.9 mg/ml).
XLogP3:-0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:145.07389321
Heavy Atom Count:10
Complexity:133

Purity/Quality:

99%, ^*data from raw suppliers

4-ACETAMIDOBUTYRIC ACID Aldrich ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 37/39-26

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)NCCCC(=O)O

Technology Process of 4-Acetamidobutyric acid

There total 6 articles about 4-Acetamidobutyric acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

: 108-24-7
acetic anhydride

: 56-12-2
4-amino-n-butyric acid

: 3025-96-5
N-Acetyl-4-aminobutyric acid

Guidance literature:: With acetic acid; In diethyl ether; for 1h; Reflux; Inert atmosphere;
DOI:10.1016/j.bmc.2016.08.040

Reference yield:

: 692-33-1
N-allylacetamide

: 201230-82-2
carbon monoxide

: 60-35-5
acetamide

: 3025-96-5
N-Acetyl-4-aminobutyric acid

: 13862-98-1
N-acetyl-3-amino-2-methylpropanoic acid

: 123-38-6
propionaldehyde

Guidance literature:: With trisodium tris(3-sulfophenyl)phosphine; water; toluene-4-sulfonic acid; palladium dichloride; at 60 ℃; for 24h; under 37503 Torr; Further byproducts given;
DOI:10.1139/v01-068