(3S,4S)-4-Isobutylpyrrolidine-3-carboxylic acid supplier

Name
(3S,4S)-4-ISOBUTYLPYRROLIDINE-3-CARBOXYLIC ACID
EINECS
CAS No. 261896-40-6
Density 1.019 g/cm³
Solubility
Melting Point
Formula C₉H₁₇NO₂
Boiling Point 286.9 °C at 760 mmHg
Molecular Weight 171.24
Flash Point 127.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (3S,4S)-4-ISOBUTYLPYRROLIDINE-3-CARBOXYLIC ACID
PSA 49.33000
LogP 1.28150

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

The (3S,4S)-4-Isobutylpyrrolidine-3-carboxylic acid, with cas registry number 261896-40-6, has the systematic name of (3S,4S)-4-(2-methylpropyl)pyrrolidine-3-carboxylic acid. And it is also called 3-pyrrolidinecarboxylic acid, 4-(2-methylpropyl)-, (3S,4S)-.

Physical properties about this chemical are: (1)ACD/LogP: 1.43; (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: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 29.54 Å²; (11)Index of Refraction: 1.465; (12)Molar Refractivity: 46.45 cm³; (13)Molar Volume: 167.9 cm³; (14)Polarizability: 18.41×10^-24cm³; (15)Surface Tension: 33.8 dyne/cm; (16)Enthalpy of Vaporization: 57.88 kJ/mol; (17)Vapour Pressure: 0.000657 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H]1CNC[C@H]1CC(C)C
(2)InChI: InChI=1/C9H17NO2/c1-6(2)3-7-4-10-5-8(7)9(11)12/h6-8,10H,3-5H2,1-2H3,(H,11,12)/t7-,8-/m1/s1
(3)InChIKey: WPLPJEWZNOILAV-HTQZYQBOBU
(4)Std. InChI: InChI=1S/C9H17NO2/c1-6(2)3-7-4-10-5-8(7)9(11)12/h6-8,10H,3-5H2,1-2H3,(H,11,12)/t7-,8-/m1/s1
(5)Std. InChIKey: WPLPJEWZNOILAV-HTQZYQBOSA-N

Product Name

(3S,4S)-4-ISOBUTYLPYRROLIDINE-3-CARBOXYLIC ACID

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

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