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3-Pyrrolidinecarboxylicacid, 4-(1-methylethyl)-, (3R,4R)-rel- (261896-36-0)

Identification
Name:3-Pyrrolidinecarboxylicacid, 4-(1-methylethyl)-, (3R,4R)-rel-
Synonyms:3-Pyrrolidinecarboxylicacid,4-(1-methylethyl)-,(3R,4R)-rel-(9CI)
CAS:261896-36-0
Molecular Formula: C8H15 N O2
Molecular Weight: 0
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+/m1/s1
Molecular Structure: (C8H15NO2) 3-Pyrrolidinecarboxylicacid,4-(1-methylethyl)-,(3R,4R)-rel-(9CI)
Properties
Flash Point: 117.594°C
Boiling Point: 270.829°C at 760 mmHg
Density:1.054g/cm3
Refractive index:1.472
Specification:

The (3R,4R)-4-Isopropylpyrrolidine-3-carboxylic acid with the cas number 261896-36-0 is also called 3-Pyrrolidinecarboxylicacid, 4-(1-methylethyl)-, (3R,4R)-rel-. The systematic name is (3R,4R)-4-(propan-2-yl)pyrrolidine-3-carboxylic acid. Its molecular formula is C8H15NO2. This chemical belongs to the following product categories: (1)isopropyl; (2)carboxylicacid.

The properties of the chemical are: (1)ACD/LogP: 1.06; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 49.33 Å2; (7)Index of Refraction: 1.472; (8)Molar Refractivity: 41.767 cm3; (9)Molar Volume: 149.108 cm3; (10)Polarizability: 16.558×10-24cm3; (11)Surface Tension: 35.964 dyne/cm; (12)Enthalpy of Vaporization: 56.027 kJ/mol; (13)Vapour Pressure: 0.002 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+/m1/s1
(3)InChIKey: NQULSPPHDFWDLL-RQJHMYQMBH

Flash Point: 117.594°C
Safety Data
 

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