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3-Boc-aminomethylpyrrolidine

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Name

3-Boc-aminomethylpyrrolidine

EINECS N/A
CAS No. 149366-79-0 Density 0.997 g/cm3
PSA 50.36000 LogP 1.84030
Solubility N/A Melting Point N/A
Formula C10H20N2O2 Boiling Point 303.9 °C at 760 mmHg
Molecular Weight 200.281 Flash Point 137.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 149366-79-0 (3-Boc-aminomethylpyrrolidine) Hazard Symbols N/A
Synonyms

Carbamicacid, (3-pyrrolidinylmethyl)-, 1,1-dimethylethyl ester (9CI);(Pyrrolidin-3-ylmethyl)carbamic acid tert-butyl ester;3-(tert-Butoxycarbonylaminomethyl)pyrrolidine;3-Boc-aminomethyl-pyrrolidine;

Article Data 6

3-Boc-aminomethylpyrrolidine Specification

The Carbamic acid,N-(3-pyrrolidinylmethyl)-, 1,1-dimethylethyl ester with the CAS number 149366-79-0 is also called (Pyrrolidin-3-ylmethyl)carbamic acid tert-butyl ester. Both the systematic name and IUPAC name are tert-butyl N-(pyrrolidin-3-ylmethyl)carbamate. Its molecular formula is C10H20N2O2. This chemical belongs to the following product categories: (1)Pharmacetical; (2)Pyrrole & Pyrrolidine & Pyrroline.

The properties of the Carbamic acid,N-(3-pyrrolidinylmethyl)-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 1.16; (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: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 32.78 Å2; (11)Index of Refraction: 1.46; (12)Molar Refractivity: 54.98 cm3; (13)Molar Volume: 200.6 cm3; (14)Polarizability: 21.79×10-24cm3; (15)Surface Tension: 33.8 dyne/cm; (16)Enthalpy of Vaporization: 54.43 kJ/mol; (17)Vapour Pressure: 0.000902 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)NCC1CCNC1
(2)InChI: InChI=1/C10H20N2O2/c1-10(2,3)14-9(13)12-7-8-4-5-11-6-8/h8,11H,4-7H2,1-3H3,(H,12,13)
(3)InChIKey: WIEJVMZWPIUWHO-UHFFFAOYAW

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