Basic information
- CAS
4386-03-2- Standard SMILES
O=C(O)CCCNCCC(=O)O- InChIKey
SRGQUICKDUQCKO-UHFFFAOYSA-N- Molecular formula
- C7H13NO4
- Average molar mass
- 175.18 g/mol
- Monoisotopic mass
- 175.0844579
Overview
N-carboxyethyl-gamma-aminobutyric acid is an organonitrogen compound and an organooxygen compound. It is functionally related to a gamma-amino acid.
Names & identifiers
- Preferred name
- 4-((2-Carboxyethyl)amino)butanoic acid
- IUPAC
- 4-(2-carboxyethylamino)butanoic acid
- English name
- CEGABA
- Molecular formula
- C7H13NO4
- Molecular weight
- 175.18
Names & synonyms
Spermidic acid4386-03-24-[(2-carboxyethyl)amino]butanoic acid4-((2-Carboxyethyl)amino)butanoic acid2-Carboxyethyl gamma-aminobutyric acidVO6U3596JPDTXSID80195963BUTANOIC ACID, 4-((2-CARBOXYETHYL)AMINO)-Butanoic acid, 4-[(2-carboxyethyl)amino]-RefChem:911961DTXCID20118454CEGABA
Show more names
spermidicacidCarboxyethyl-γ-aminobutyric acid2-carboxyethylgamma-aminobutyricacid4-((2-carboxyethyl)amino)-butyricaci4-((2-carboxyethyl)amino)butanoicacid4-((2-carboxyethyl)amino)-butanoicaciCARBOXYETHYL-GAMMA-AMINO-BUTYRIC ACIDN-Carboxyethyl-gamma-aminobutyric acid
4-(2-Carboxy-ethylamino)-butyric acidCarboxyethyl-gamma-aminobutyric acid4-(2-carboxyethylamino)butanoic acidcarboxyethyl aminobutyric acidN-Carboxyethyl-g-aminobutyric acidspermidateCarboxyethyl-GABAEINECS 224-497-0
Database identifiers
Properties
Computed structural properties
- XLogP
- -3.1
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 157
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- solubility
- 1.5 mg/mL · cell culture medium: 1.5 mg/mL Store solution at −20°C.
- form
- powder
- Cosmetics Ingredients Functions
- SKIN CONDITIONING
- InChI
- InChI=1S/C7H13NO4/c9-6(10)2-1-4-8-5-3-7(11)12/h8H,1-5H2,(H,9,10)(H,11,12)
- InChIKey
- SRGQUICKDUQCKO-UHFFFAOYSA-N
- SMILES
- C(O)(=O)CCCNCCC(O)=O
- LogP
- 0.146 · 0.146 (est)
- FDA UNII
- 6 U3596JP · VO6U3596JP
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- rtecs
- EK7730000
- Toxicity
- mouse,LD50,intraperitoneal,783mg/kg (783mg/kg),Italian Journal of Biochemistry. Vol. 33, Pg. 31A, 1984.
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313
Chemistry & industry
Applications
UsesSpermidic Acid is a useful research chemical used in dietary resistant starch preserved through mild extrusion of grain alters fecal microbiome metabolism of dietary macronutrients while increasing Ig in cat. It is also used in cosmetic treatment for improvement of esthetic aspect and physical-mechanical characteristics of keratins using sulfo-carboxylate molecule pincers.
Suppliers10 total
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
上海太氟医药科技有限公司13524951390 18930958102 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
山东鸿图生物科技有限公司15318761660 15966937598 · [email protected]
上海恬枫生物科技有限公司18717800556 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
天津睿池医药科技有限公司13752243191 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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