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30727-22-1

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Basic Information
CAS No.: 30727-22-1
Name: 1-Methylprrolidine-2-carboxylic acid hydrochloride
Molecular Structure:
Molecular Structure of 30727-22-1 (1-Methylprrolidine-2-carboxylic acid hydrochloride)
Formula: C6H13NO
Molecular Weight: 165.61800
Synonyms: 1-METHYLPRROLIDINE-2-CARBOXYLICACIDHYDROCHLORIDE;1-ETHYL-3-PYRROLIDINOL;
Density: 1.007 g/cm3
Melting Point: 188℃
Boiling Point: 204.5 °C at 760 mmHg
Flash Point: 73.9 °C
PSA: 40.54000
LogP: 0.90510
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Specification

The 1-Ethyl-3-pyrrolidinol, with the CAS registry number of 30727-22-1, is also known as 3-Pyrrolidinol, 1-ethyl-. This chemical's molecular formula is C6H13NO. What's more, its systematic name is 1-Ethylpyrrolidin-3-ol.

Physical properties about the 1-Ethyl-3-pyrrolidinol are: (1)ACD/LogP: -0.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.22; (4)ACD/LogD (pH 7.4): -2.4; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 32.93 cm3; (15)Molar Volume: 114.3 cm3; (16)Surface Tension: 36.9 dyne/cm; (17)Density: 1.007 g/cm3; (18)Flash Point: 73.9 °C; (19)Enthalpy of Vaporization: 51.27 kJ/mol; (20)Boiling Point: 204.5 °C at 760 mmHg; (21)Vapour Pressure: 0.0629 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC1CCN(CC)C1
(2) InChI: InChI=1/C6H13NO/c1-2-7-4-3-6(8)5-7/h6,8H,2-5H2,1H3
(3) InChIKey: IDBNECMSCRAUNU-UHFFFAOYAC