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(3S,4S)-4-Isopropylpyrrolidine-3-carboxylic acid

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Name

(3S,4S)-4-Isopropylpyrrolidine-3-carboxylic acid

EINECS
CAS No. 1049980-59-7 Density 1.054 g/cm3
Solubility Melting Point
Formula C8H15NO2 Boiling Point 270.8 °C at 760 mmHg
Molecular Weight 157.21 Flash Point 117.6 °C
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Safety Risk Codes
Molecular Structure Molecular Structure of 1049980-59-7 ((3S,4S)-4-Isopropylpyrrolidine-3-carboxylic acid) Hazard Symbols
Synonyms

3-pyrrolidinecarboxylic acid, 4-(1-methylethyl)-, (3S,4S)-;

 

(3S,4S)-4-Isopropylpyrrolidine-3-carboxylic acid Specification

The (3S,4S)-4-Isopropylpyrrolidine-3-carboxylic acid with the cas number 1049980-59-7, is also called 3-pyrrolidinecarboxylic acid, 4-(1-methylethyl)-, (3S,4S)-.The properties of the chemical are: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.61; (4)ACD/LogD (pH 7.4): -1.6; (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: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54Å2; (13)Index of Refraction: 1.472; (14)Molar Refractivity: 41.76 cm3; (15)Molar Volume: 149.1 cm3; (16)Polarizability: 16.55×10-24cm3; (17)Surface Tension: 35.9 dyne/cm; (18)Enthalpy of Vaporization: 56.03 kJ/mol; (19)Vapour Pressure: 0.00188 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H]1CNC[C@H]1C(C)C
(2)InChI: InChI=1/C8H15NO2/c1-5(2)6-3-9-4-7(6)8(10)11/h5-7,9H,3-4H2,1-2H3,(H,10,11)/t6-,7+/m0/s1

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