Basic information
- Name:
1-Pyrrolidinepropanol
- Superlist Name:
- 1-(3-Hydroxypropyl)pyrrolidine
- CAS No.:
19748-66-4
- Molecular Structure:
- Formula:
- C7H15NO
- Molecular Weight:
- 129.2
- Synonyms:
- 1-(3-Hydroxypropyl)pyrrolidine;3-(1-Pyrrolidinyl)propanol;3-(1-Pyrrolidyl)-1-propanol;3-(Pyrrolidin-1-yl)propan-1-ol;3-Pyrrolidino-1-propanol;N-(3-Hydroxypropyl)pyrrolidine;
- Density:
- 0.983 g/cm3
- Boiling Point:
- 216.9 °C at 760 mmHg
- Flash Point:
- 97.7 °C
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Specification
This chemical is called 1-Pyrrolidinepropanol, and it can also be named as 1-(3-Hydroxypropyl)pyrrolidine. With the molecular formula of C7H15NO, its molecular weight is 129.2. The CAS registry number of this chemical is 19748-66-4. What's more, its systematic name is 3-(Pyrrolidin-1-yl)propan-1-ol.
Other characteristics of the 1-Pyrrolidinepropanol can be summarised as follows: (1)ACD/LogP: -0.11; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 12.47 Å2; (7)Index of Refraction: 1.482; (8)Molar Refractivity: 37.5 cm3; (9)Molar Volume: 131.3 cm3; (10)Polarizability: 14.86×10-24 cm3; (11)Surface Tension: 37 dyne/cm; (12)Density: 0.983 g/cm3; (13)Flash Point: 97.7 °C; (14)Enthalpy of Vaporization: 52.72 kJ/mol; (15)Boiling Point: 216.9 °C at 760 mmHg; (16)Vapour Pressure: 0.0293 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: OCCCN1CCCC1
2.InChI: InChI=1/C7H15NO/c9-7-3-6-8-4-1-2-5-8/h9H,1-7H2
3.InChIKey: ZMJQROKRSPSLFH-UHFFFAOYAL
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
| mouse | LD50 | intravenous | 73mg/kg (73mg/kg) | | Pharmazie. Vol. 14, Pg. 201, 1959. |
