5-Aminovaleriansaeure

5-Aminovaleric acid

HCID 138CAS 660-88-8
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Grundinformationen

Standard-SMILES
NCCCCC(=O)O
InChIKey
JJMDCOVWQOJGCB-UHFFFAOYSA-N
Summenformel
C5H11NO2
Durchschnittliche Molmasse
117,15 g/mol
Monoisotopische Masse
117,07897859

Überblick

5-aminopentanoic acid is a delta-amino acid comprising pentanoic acid with an amino substituent at C-5; a methylene homologue of gamma-aminobutyric acid (GABA) that is a weak GABA agonist. It has a role as a human metabolite. It is a delta-amino acid and an omega-amino fatty acid. It is functionally related to a valeric acid. It is a conjugate acid of a 5-aminopentanoate. It is a tautomer of a 5-aminopentanoic acid zwitterion.

Namen und Bezeichner

Bevorzugter Name
5-Aminovaleric acid
IUPAC
5-aminopentanoic acid
Lokaler Name
5-Aminovaleriansaeure
Englischer Name
5-Aminovaleric acid
Summenformel
C5H11NO2
Molmasse
117.15

Namen und Synonyme

5-Aminovaleric acid5-Aminopentanoic acid660-88-8Pentanoic acid, 5-amino-delta-Aminovaleric aciddelta-Amino-n-valeric acid5-aminovalerate5-aminopentanoate5-AMINO-N-VALERIC ACIDNSC-58383NSC-73123CHEBI:15887
Weitere Namen anzeigen
5-Ava-OH5-AVAH-5-AVA-OHH-APE(5)-OHH2N(CH2)4COOHNH2-(CH2)4-COOHRARECHEM AN KA 1519D-AMINOVALERIC ACID
delta-aminovalerateBUW4BFJ6SCDTXSID70216212CHEBI:86394RefChem:532474DTXCID70138703211-544-55-azaniumylpentanoate

Datenbank-Bezeichner

CAS
660-88-8
PubChem CID
138
DTXSID
DTXSID70216212
ChEMBL
CHEMBL284116
ChEBI
CHEBI:15887
UNII
BUW4BFJ6SC
EC Number
211-544-5
Nikkaji
J38.132B

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-2,6
Polarare Oberfläche (TPSA)
63,3 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
4
Schwere Atome
8

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Listed in ZINC15
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Amino fatty acids [FA0110]
LogP-2.63
Solubility1000 mg/mL at 20 °C
Melting Point157.5 °C
Physical DescriptionSolid

Physikochemische Eigenschaften

Schmelzpunkt
158 · 158-161 °C(lit.)
Siedepunkt
247.5 · 247.5±23.0 °C(Predicted)
Dichte
1.2 · 1.2000 (estimate)
Brechungsindex
1.465 · 1.4650 (estimate)
storage temp.
Sealed in dry,Room Temperature
Löslichkeit
Chloroform (Slightly), Methanol (Slightly), Water (Slightly)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk
3
hs_code
29224999
risk_code
20/21/22-36/37/38
hazard_code
Xn
safety_code
22-24/25-36-26
Speicherklasse
11 - Combustible Solids

Chemie und Industrie

Pharmakologische Informationen

Tissue LocationsLiver
Cellular LocationsCytoplasm

Anwendungen

Verwenden5-Aminovaleric Acid is used in the development of drugs that halts severe type of seizures.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A delta-amino acid comprising pentanoic acid with an amino substituent at C-5; a methylene homologue of gamma-aminobutyric acid (GABA) that is a weak GABA agonist.

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