1-Pyrrolidinepropanol

HCID 209342

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Basic information

CAS: 19748-66-4
Standard SMILES: OCCCN1CCCC1
InChIKey: ZMJQROKRSPSLFH-UHFFFAOYSA-N
Molecular formula: C7H15NO
Average molar mass: 129.2 g/mol
Monoisotopic mass: 129.1153641

Names & identifiers

Preferred name: 1-Pyrrolidinepropanol
IUPAC: 3-pyrrolidin-1-ylpropan-1-ol
English name: 1-(3-Hydroxypropyl)-pyrrolidine
Molecular formula: C7H15NO
Molecular weight: 129.2

Names & synonyms

19748-66-41-Pyrrolidinepropanolgamma-PyrrolidinopropanolBRN 0103382gamma-Pyrrolidinopropanol [German]DTXSID301734334-20-00-00118 (Beilstein Handbook Reference)RefChem:77213DTXCID40959243-(Pyrrolidin-1-yl)propan-1-ol3-(1-Pyrrolidyl)-1-propanol3-pyrrolidin-1-ylpropan-1-ol

Show more names

CHEMBRDG-BB 40128993-1-pyrrolidinylpropan-1-ol4-Piperidinepropanol,9-hydroxy-1-(3-hydroxypropyl)-pyrrolidlne

1-(3-HYDROXYPROPYL)-PYRROLIDINEMFCD016877691-(3-Hydroxypropyl)pyrrolidine3-(1-pyrrolidinyl)-1-propanolhydroxypropylpyrrolidineAC-172161-Pyrrolidinepropanol [also: 1-(3-Hydroxypropyl)pyrrolidine]ZMJQROKRSPS

Database identifiers

CAS: 19748-66-4
PubChem CID: 209342
DTXSID: DTXSID30173433
EC Number: 801-625-9
Nikkaji: J2.529.998A

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 23.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 9
Formal charge: 0
Complexity: 69.3

Physicochemical properties

Boiling point: 98 °C · 98 °C(Press: 18 Torr)
Density: 0.983 · 0.983±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 15.02 · 15.02±0.10(Predicted)
Appearance: Colorless to light yellow Liquid
InChI: InChI=1S/C7H15NO/c9-7-3-6-8-4-1-2-5-8/h9H,1-7H2
InChIKey: ZMJQROKRSPSLFH-UHFFFAOYSA-N
SMILES: N1(CCCO)CCCC1
EWG's Food Scores: 1 · 1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, 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 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.