2-Methylpropanehydrazide

HCID 19239CAS 3619-17-8

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Grundinformationen

Standard-SMILES: CC(C)C(=O)NN
InChIKey: PLNNJQXIITYYTN-UHFFFAOYSA-N
Summenformel: C4H10N2O
Durchschnittliche Molmasse: 102,14 g/mol
Monoisotopische Masse: 102,07931294

Namen und Bezeichner

Bevorzugter Name: 2-Methylpropanehydrazide
IUPAC: 2-methylpropanehydrazide
Englischer Name: Isobutyric acid hydrazide
Summenformel: C4H10N2O
Molmasse: 102.14

Namen und Synonyme

2-methylpropanehydrazideRefChem:476190673-609-8Isobutyric acid hydrazide3619-17-8Isobutyrohydrazide2-methylpropanohydrazidePropanoic acid, 2-methyl-, hydrazideIsobutyryl hydrazideISOBUTYRIC ACID, HYDRAZIDEMFCD000251222-Methylpropionic acid hydrazide

Weitere Namen anzeigen

AKOS B015435ISOBUTYLVINYLETHERCHEMBRDG-BB 3015435isobutyrylhydrazideART-CHEM-BB B0154351-IsobutyrylhydrazineSPECS AE-848/30741004

NSC 141139BRN 0605579AI3-625274-02-00-00854 (Beilstein Handbook Reference)2-MethylpropionohydrazideISOBUTYRYL HYDRAZINESCHEMBL406213SCHEMBL481636

Datenbank-Bezeichner

CAS: 3619-17-8
PubChem CID: 19239
DTXSID: DTXSID70189755
ChEMBL: CHEMBL174244
EC Number: 673-609-8
Nikkaji: J68.600J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,6
Polarare Oberfläche (TPSA): 55,1 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 7
Formalladung: 0
Komplexität: 70,1

Physikochemische Eigenschaften

Schmelzpunkt: 97 °C · 97 °C
Siedepunkt: 238.6 · 238.6±9.0 °C(Predicted)
Dichte: 0.976 · 0.976±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
pka: 13.46 · 13.46±0.36(Predicted)
Farbe: White to Almost white
InChI: 1S/C4H10N2O/c1-3(2)4(7)6-5/h3H,5H2,1-2H3,(H,6,7)
InChIKey: PLNNJQXIITYYTN-UHFFFAOYSA-N
SMILES: CC(C)C(=O)NN
CAS Datenbank: 3619 · 3619-17-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (75%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (75%)

Sicherheitsdaten

wgk: WGK 3
ridadr: UN2811
hs_code: 2928.00.5000
RTECS-Nr.: NQ4700000
risk_code: 20/21/22-36/37/38-25
hazard_code: Xi,T
safety_code: 26-36/37/39-45
hazard_class: IRRITANT
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 Oral