Grundinformationen
- Standard-SMILES
CN1CCN(CC(=O)O)CC1- InChIKey
JCXZKUZXVQKENT-UHFFFAOYSA-N- Summenformel
- C7H14N2O2
- Durchschnittliche Molmasse
- 158,2 g/mol
- Monoisotopische Masse
- 158,10552769
Namen und Bezeichner
- Bevorzugter Name
- (4-Methylpiperazin-1-yl)acetic acid
- IUPAC
- 2-(4-methylpiperazin-1-yl)acetic acid
- Englischer Name
- (4-Methyl-piperazin-1-yl)-acetic acid
- Summenformel
- C7H14N2O2
- Molmasse
- 158.2
Namen und Synonyme
54699-92-2(4-methylpiperazin-1-yl)acetic acidDTXSID70376401RefChem:208958DTXCID80327429(4-Methyl-piperazin-1-yl)-acetic acid4-methyl-1-piperazineacetic acid2-(4-Methylpiperazin-1-yl)acetic acidMFCD034445544-methyl-1-piperazine acetic acid1-PIPERAZINEACETIC ACID, 4-METHYL-(Carboxymethyl)-N'-methylpiperazine
Weitere Namen anzeigen
AKOS BB-5221AKOS BBS-00002665(4-METHYLPIPERAZINO)ACETIC ACID4-METHYL PIPERAZINE-ACETIC ACID4-Methyl-1-piperazin acetic acid
(4-methyl-1-piperazinyl)acetic acid2-(4-methylpiperazinyl)acetic acid4-Methylpiperazine-1-acetic acidMLS000123118BAS 03840590SCHEMBL151404-methylpiperazine acetic acidN-methyl piperazino acetic acid
Datenbank-Bezeichner
- CAS
54699-92-2- PubChem CID
- 2762732
- DTXSID
DTXSID70376401- ChEMBL
CHEMBL1718660- EC Number
- 803-916-6
- Nikkaji
- J2.965.346A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -2,6
- Polarare Oberfläche (TPSA)
- 43,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 141
Physikochemische Eigenschaften
- Schmelzpunkt
- 130 · 130-133°C
- Siedepunkt
- 278 ℃ · 278℃
- Dichte
- 1.123 · 1.123
- Flammpunkt
- 122 ℃ · 122℃
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- solid
- pka
- 1.85 · 1.85±0.10(Predicted)
- Farbe
- Off-white
- InChI
- InChI=1S/C7H14N2O2/c1-8-2-4-9(5-3-8)6-7(10)11/h2-6H2,1H3,(H,10,11)
- InChIKey
- JCXZKUZXVQKENT-UHFFFAOYSA-N
- SMILES
- N1(CC(O)=O)CCN(C)CC1
- CAS Datenbank
- 54699 · 54699-92-2(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesEye Dam. 1 (100%)
Sicherheitsdaten
- hs_code
- 2933599590
- risk_code
- 36/37/38-41-37/38
- hazard_code
- Xi
- safety_code
- 26-36/37/39-39
- hazard_class
- IRRITANT
Chemie und Industrie
Anwendungen
Verwenden(Carboxymethyl)-N'-methylpiperazine acts as a potential antibacterial compound, due to its nocathiacin analog.
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