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

Name
tert-Butyl 3-(iodomethyl)pyrrolidine-1-carboxylate
EINECS
CAS No. 479622-36-1
Article Data2
CAS DataBase
Density 1.504g/cm³
Solubility
Melting Point
Formula C₁₀H₁₈INO₂
Boiling Point 319 °C at 760 mmHg
Molecular Weight 311.16
Flash Point 146.7 °C
Transport Information
Appearance
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols
Synonyms tert-Butyl 3-(iodomethyl)pyrrolidine-1-carboxylate;3-Iodomethyl-pyrrolidine-1-carboxylic acid tert-butyl ester;
PSA 29.54000
LogP 2.61630

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

Product Name

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

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

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