4-Methylpiperazin-1-ylamindihydrochloridhydrat

4-Methylpiperazin-1-ylamine dihydrochloride hydrate

HCID 198221

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Grundinformationen

CAS: 40675-60-3
Standard-SMILES: CN1CCN(N)CC1.Cl.Cl
InChIKey: MIQKQAFRWSMHEI-UHFFFAOYSA-N
Summenformel: C5H15Cl2N3
Durchschnittliche Molmasse: 188,1 g/mol
Monoisotopische Masse: 187,0643029

Namen und Bezeichner

Bevorzugter Name: 4-Methylpiperazin-1-ylamine dihydrochloride hydrate
IUPAC: 4-methylpiperazin-1-amine;dihydrochloride
Lokaler Name: 4-Methylpiperazin-1-ylamindihydrochloridhydrat
Englischer Name: 1-Amino-4-methylpiperazine dihydrochloride monohydrate
Summenformel: C5H14ClN3
Molmasse: 151.64

Namen und Synonyme

4-Methylpiperazin-1-ylamine dihydrochloride hydrateRefChem:525679255-031-440675-60-34-methylpiperazin-1-amine dihydrochloridePiperazine, 1-amino-4-methyl-, dihydrochloride1-Amino-4-methylpiperazine dihydrochloride4-methylpiperazin-1-amine;dihydrochloride1-Amino-4-methylpiperazine dihydrochloride monohydrateEINECS 255-031-41-Piperazinamine, 4-methyl-, dihydrochlorideorb3029896

Weitere Namen anzeigen

4-methyl-1-piperazinamindihydrochloride1-amino-4-methylpiperazinedihydrochloride1-amino-4-methyl-piperazindihydrochloridehydron:4-methylpiperazin-1-amine:dichloride4-METHYLPIPERAZINOAMINE DIHYDROCHLORIDE MONOHYDRATE1-AMINO-4-METHYLPIPERAZINE DIHYDROCHLORIDE, 1-HYDRATE1-Amino-4-methylpiperazine monohydrate dihydrochloride

SCHEMBL1700097DTXSID40193662Fr16602SBB090689MS-222061-methyl-4-aminopiperazine dihydrochlorideDB-2593724-methylpiperazinylamine, chloride, chloride

Datenbank-Bezeichner

CAS: 40675-60-3
PubChem CID: 198221
DTXSID: DTXSID40193662
EC Number: 255-031-4

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 32,5 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 66

Physikochemische Eigenschaften

Schmelzpunkt: 230 °C · 230 °C (dec.)(lit.)
Aggregatzustand: crystals
InChI: 1S/C5H13N3.2ClH.H2O/c1-7-2-4-8(6)5-3-7;;;/h2-6H2,1H3;2*1H;1H2
InChIKey: UPJWXQREHFVMHA-UHFFFAOYSA-N
SMILES: O.Cl.Cl.CN1CCN(N)CC1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: 3
RTECS-Nr.: TK8062000
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 26-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3