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tert-Butyl 3-(iodomethyl)pyrrolidine-1-carboxylate

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Name

tert-Butyl 3-(iodomethyl)pyrrolidine-1-carboxylate

EINECS N/A
CAS No. 479622-36-1 Density 1.504g/cm3
PSA 29.54000 LogP 2.61630
Solubility N/A Melting Point N/A
Formula C10H18INO2 Boiling Point 319 °C at 760 mmHg
Molecular Weight 311.16 Flash Point 146.7 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 36
Molecular Structure Molecular Structure of 479622-36-1 (tert-Butyl 3-(iodomethyl)pyrrolidine-1-carboxylate) Hazard Symbols N/A
Synonyms

tert-Butyl 3-(iodomethyl)pyrrolidine-1-carboxylate;3-Iodomethyl-pyrrolidine-1-carboxylic acid tert-butyl ester;

Article Data 2

tert-Butyl 3-(iodomethyl)pyrrolidine-1-carboxylate Specification

The tert-Butyl 3-(iodomethyl)pyrrolidine-1-carboxylate with the cas number 479622-36-1 is also called 1-Pyrrolidinecarboxylicacid, 3-(iodomethyl)-, 1,1-dimethylethyl ester. Its molecular formula is C10H18INO2. This chemical is irritant. While using this chemical, you should be very cautious.

The properties of the chemical are: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.52; (4)ACD/LogD (pH 7.4): 2.52  ; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 29.54 Å2; (9)Index of Refraction: 1.535; (10)Molar Refractivity: 64.49 cm3; (11)Molar Volume: 206.8 cm3; (12)Polarizability: 25.56×10-24cm3; (13)Surface Tension: 40.8 dyne/cm; (14)Enthalpy of Vaporization: 56.05 kJ/mol; (15)Vapour Pressure: 0.000348 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCC(C1)CI
(2)InChI: InChI=1/C10H18INO2/c1-10(2,3)14-9(13)12-5-4-8(6-11)7-12/h8H,4-7H2,1-3H3
(3)InChIKey: DNUFVBGZKFHSDQ-UHFFFAOYAS

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