3-Pyrrolidinol, 1-(1-methylethyl)- supplier

Name
1-ISOPROPYL-3-PYRROLIDINOL
EINECS
CAS No. 42729-56-6
Article Data5
CAS DataBase
Density 1.002 g/cm³
Solubility
Melting Point
Formula C₇H₁₅NO
Boiling Point 192.2 °C at 760 mmHg
Molecular Weight 129.2
Flash Point 60.2 °C
Transport Information
Appearance
Safety 23-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(Propan-2-yl)pyrrolidin-3-ol;
PSA 23.47000
LogP 0.39930

3-Pyrrolidinol, 1-(1-methylethyl)- Specification

The 3-Pyrrolidinol, 1-(1-methylethyl)-, with the CAS registry number 42729-56-6, is also known as 1-Isopropylpyrrolidin-3-ol. This chemical's molecular formula is C₇H₁₅NO and molecular weight is 129.2. What's more, its systematic name is called 1-(Propan-2-yl)pyrrolidin-3-ol. You can not breathe the gas/fumes/vapour/spray and should avoid contacting with skin and eyes.

Physical properties about 3-Pyrrolidinol, 1-(1-methylethyl)- are: (1)ACD/LogP: 0.19; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 12.47 Å²; (11)Index of Refraction: 1.493; (12)Molar Refractivity: 37.46 cm³; (13)Molar Volume: 128.8 cm³; (14)Surface Tension: 38 dyne/cm; (15)Density: 1.002 g/cm³; (16)Flash Point: 60.2 °C; (17)Enthalpy of Vaporization: 49.85 kJ/mol; (18)Boiling Point: 192.2 °C at 760 mmHg; (19)Vapour Pressure: 0.132 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC1CCN(C(C)C)C1
(2) InChI: InChI=1/C7H15NO/c1-6(2)8-4-3-7(9)5-8/h6-7,9H,3-5H2,1-2H3
(3) InChIKey: MYFPIRLHESHOGR-UHFFFAOYAA

Product Name

1-ISOPROPYL-3-PYRROLIDINOL

3-Pyrrolidinol, 1-(1-methylethyl)- Specification

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