3-(1-Pyrrolidinyl)propane-1,2-diol
Grundinformationen
- CAS
85391-19-1- Standard-SMILES
OCC(O)CN1CCCC1- InChIKey
MFPZRSWYUKWRIQ-UHFFFAOYSA-N- Summenformel
- C7H15NO2
- Durchschnittliche Molmasse
- 145,2 g/mol
- Monoisotopische Masse
- 145,11027872
Namen und Bezeichner
- Bevorzugter Name
- 3-(1-Pyrrolidinyl)propane-1,2-diol
- IUPAC
- 3-pyrrolidin-1-ylpropane-1,2-diol
- Englischer Name
- 3-PYRROLIDINO-1,2-PROPANEDIOL
- Summenformel
- C7H15NO2
- Molmasse
- 145.2
Namen und Synonyme
EINECS 286-772-13-(1-Pyrrolidinyl)propane-1,2-diolRefChem:489637286-772-185391-19-13-(pyrrolidin-1-yl)propane-1,2-diol3-Pyrrolidino-1,2-propanediol3-pyrrolidin-1-ylpropane-1,2-diolMFCD000031773-Pyrrolidin-1-yl-propane-1,2-diol1,2-Propanediol, 3-(1-pyrrolidinyl)-Oprea1_156486
Weitere Namen anzeigen
3-Pyrrolizino-1,2-propanediol3-PYRROLIDINO-1,2-PROPANDIOL 96%3-Pyrrolidino-1,2-propanediol,96%3-PYRROLIDINO-1,2-PROPANEDIOL 96%3-(1-Pyrrolidinyl)-1,2-propanediol3-PYRROLIDINO-1-YL-1,2-PROPANE-DIOL
SCHEMBL10476SCHEMBL10477MLS0007759903-pyrrolidinylpropane-1,2-diolCHEMBL1471773SCHEMBL14889872DTXSID601005855HMS2806D13
Datenbank-Bezeichner
- CAS
85391-19-1- PubChem CID
- 174452
- DTXSID
DTXSID601005855- ChEMBL
CHEMBL1471773- EC Number
- 286-772-1
- Nikkaji
- J267.470J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,6
- Polarare Oberfläche (TPSA)
- 43,7 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 91
Experimentelle und physikochemische Eigenschaften
Solubility21.4 [ug/mL] (The mean of the results at pH 7.4)
Physikochemische Eigenschaften
- Schmelzpunkt
- 43 · 43-48 °C
- Siedepunkt
- 158 °C · 158 °C (30 mmHg)
- Dichte
- 1.0708 · 1.0708 (rough estimate)
- Brechungsindex
- 1.4638 · 1.4638 (estimate)
- pka
- 14 · 14.00±0.20(Predicted)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (66.7%): 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+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 3 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. 3 (33.3%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (33.3%)；Eye Irrit. 2A (66.7%)；STOT SE 3 (100%)
Sicherheitsdaten
- safety_code
- 24/25
Chemie und Industrie
Anbieter1 Anbieter
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
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