Isopropylharnstoff

Isopropylurea

HCID 12725

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 691-60-1
Standard-SMILES: CC(C)NC(N)=O
InChIKey: LZMATGARSSLFMQ-UHFFFAOYSA-N
Summenformel: C4H10N2O
Durchschnittliche Molmasse: 102,14 g/mol
Monoisotopische Masse: 102,07931295

Namen und Bezeichner

Bevorzugter Name: Isopropylurea
IUPAC: propan-2-ylurea
Lokaler Name: Isopropylharnstoff
Englischer Name: Isopropylurea
Summenformel: C4H10N2O
Molmasse: 102.14

Namen und Synonyme

ISOPROPYLUREA1-Isopropylureapropan-2-ylureaUrea, (1-methylethyl)-N-IsopropylureaUrea, isopropyl-(1-Methylethyl)urean-(1-methylethyl)ureaUrea, N-(1-methylethyl)-EINECS 211-722-2NSC 14349BRN 1743048

Weitere Namen anzeigen

TB-2124isopropyl-urelsopropyl Urea1-propan-2-ylurea

3G2GT415DHAI3-52666NSC-14349UNII-3G2GT415DHDTXSID80610024-04-00-00521 (Beilstein Handbook Reference)RefChem:149868DTXCID3046455

Datenbank-Bezeichner

CAS: 691-60-1
PubChem CID: 12725
DTXSID: DTXSID8061002
UNII: 3G2GT415DH
EC Number: 211-722-2
Nikkaji: J206.004C

Eigenschaften

Berechnete Struktureigenschaften

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

Physikochemische Eigenschaften

Schmelzpunkt: 154.25 °C · 154.25°C
Siedepunkt: 191.46 °C · 191.46°C (rough estimate)
Dichte: 1.0739 · 1.0739 (rough estimate)
Brechungsindex: 1.4386 · 1.4386 (estimate)
storage temp.: 2 · Storage temp. 2-8°C
pka: 14.08 · 14.08±0.46(Predicted)
InChI: InChI=1S/C4H10N2O/c1-3(2)6-4(5)7/h3H,1-2H3,(H3,5,6,7)
InChIKey: LZMATGARSSLFMQ-UHFFFAOYSA-N
SMILES: N(C(C)C)C(N)=O
EPA chemische Informationen: Urea, (1-methylethyl)- (691-60-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；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, 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 2 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 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

tsca: TSCA listed
hs_code: 2924190090

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationUrea, N-(1-methylethyl)-: ACTIVE

Anwendungen

VerwendenIsopropylurea, can be used in the synthesis of ymmetrical and unsymmetrical urea analogues having H+/K+-ATPase and anti-inflammatory activities in vitro.