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HCID 174452Erstellt: 27. Oktober 2026

3-(1-Pyrrolidinyl)propane-1,2-diol

1,2-Propanediol, 3-(1-pyrrolidinyl)- · 3-Pyrrolizino-1,2-propanediol · 3-PYRROLIDINO-1,2-PROPANEDIOL · 3-PYRROLIDINO-1,2-PROPANDIOL 96% · 3-Pyrrolidino-1,2-propanediol,96% · 3-PYRROLIDINO-1,2-PROPANEDIOL 96% · 3-(1-pyrrolidinyl)propane-1,2-diol · 3-(1-Pyrrolidinyl)-1,2-propanediol

https://huagongshe.com/de/chemical/174452

Molekülstruktur von 3-(1-Pyrrolidinyl)propane-1,2-diol

Identifikatoren & physikalische Daten

CAS No.	85391-19-1
Summenformel	C7H15NO2
Durchschnittliche Molmasse	145,2 g/mol
Monoisotopische Masse	145,11027872 g/mol
SMILES	OCC(O)CN1CCCC1
InChIKey	MFPZRSWYUKWRIQ-UHFFFAOYSA-N
PubChem CID	174452
ChEMBL	CHEMBL1471773
EC No.	286-772-1
DTXSID	DTXSID601005855

Chemische & physikalische Eigenschaften

XLogP	-0,6
Polarare Oberfläche (TPSA)	43,7
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	3
Schwere Atome	10
Formalladung	0
Komplexität	91
Löslichkeit	21.4 [ug/mL] (The mean of the results at pH 7.4)
Schmelzpunkt	43-48 °C
Siedepunkt	158 °C (30 mmHg)
Dichte	1.0708 (rough estimate)
Brechungsindex	1.4638 (estimate)
pKa (Säurekonstante)	14.00±0.20(Predicted)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH301 (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 exposureRespiratory 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.
Hazard Classes and Categories	Acute Tox. 3 (33.3%)Skin Irrit. 2 (100%)Eye Dam. 1 (33.3%)Eye Irrit. 2A (66.7%)STOT SE 3 (100%)
Sicherheitshinweise (S)	24/25

3-(1-Pyrrolidinyl)propane-1,2-diol

CAS No.

85391-19-1

Summenformel

C7H15NO2

Durchschnittliche Molmasse

145,2 g/mol

Monoisotopische Masse

145,11027872 g/mol

SMILES

OCC(O)CN1CCCC1

InChIKey

MFPZRSWYUKWRIQ-UHFFFAOYSA-N

PubChem CID

174452

ChEMBL

CHEMBL1471773

EC No.

286-772-1

DTXSID

DTXSID601005855

Chemische & physikalische Eigenschaften

XLogP

-0,6

Polarare Oberfläche (TPSA)

43,7

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

Löslichkeit

21.4 [ug/mL] (The mean of the results at pH 7.4)

Schmelzpunkt

43-48 °C

Siedepunkt

158 °C (30 mmHg)

Dichte

1.0708 (rough estimate)

Brechungsindex

1.4638 (estimate)

pKa (Säurekonstante)

14.00±0.20(Predicted)

Sicherheit & Vorschriften

GHS-Einstufung

DangerH301 (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 exposureRespiratory 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.

Hazard Classes and Categories

Acute Tox. 3 (33.3%)Skin Irrit. 2 (100%)Eye Dam. 1 (33.3%)Eye Irrit. 2A (66.7%)STOT SE 3 (100%)

Sicherheitshinweise (S)

24/25