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CAS No.: | 889949-18-2 |
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Name: | tert-Butyl 3-amino-3-(hydroxymethyl)pyrrolidine-1-carboxylate |
Molecular Structure: | |
Formula: | C10H20N2O3 |
Molecular Weight: | 216.28 |
Synonyms: | 3-Amino-3-hydroxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester; |
Density: | 1.129 g/cm3 |
Boiling Point: | 317.9 °C at 760 mmHg |
Flash Point: | 146.1 °C |
PSA: | 75.79000 |
LogP: | 0.95520 |
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The systematic name of this chemical is tert-Butyl 3-amino-3-(hydroxymethyl)pyrrolidine-1-carboxylate. With the CAS registry number 889949-18-2, it is also named as 3-amino-3-hydroxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester. In addition, the molecular formula is C10H20N2O3 and the molecular weight is 216.28. What's more, it should be stored in sealed container, and put in a cool and dry place.
Physical properties about this chemical are: (1)#H bond acceptors: 5; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 75.79 Å2; (5)Index of Refraction: 1.501; (6)Molar Refractivity: 56.51 cm3; (7)Molar Volume: 191.5 cm3; (8)Polarizability: 22.4 ×10-24cm3; (9)Surface Tension: 43.5 dyne/cm; (10)Density: 1.129 g/cm3; (11)Flash Point: 146.1 °C; (12)Enthalpy of Vaporization: 64.85 kJ/mol; (13)Boiling Point: 317.9 °C at 760 mmHg; (14)Vapour Pressure: 3.1E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCC(N)(C1)CO
(2)Std. InChI: InChI=1S/C10H20N2O3/c1-9(2,3)15-8(14)12-5-4-10(11,6-12)7-13/h13H,4-7,11H2,1-3H3
(3)Std. InChIKey: BAMSJMDJDXMZDC-UHFFFAOYSA-N