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663948-85-4

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Basic Information
CAS No.: 663948-85-4
Name: Carbamic acid, [(3S,5S)-5-(hydroxymethyl)-3-pyrrolidinyl]-, 1,1-dimethylethyl
Article Data: 2
Molecular Structure:
Molecular Structure of 663948-85-4 (Carbamic acid, [(3S,5S)-5-(hydroxymethyl)-3-pyrrolidinyl]-, 1,1-dimethylethyl)
Formula: C10H20N2O3
Molecular Weight: 216.28
Synonyms: Carbamic acid, [(3S,5S)-5-(hydroxymethyl)-3-pyrrolidinyl]-, 1,1-dimethylethyl;tert-butyl (3S,5S)-5-(hydroxymethyl)pyrrolidin-3-ylcarbamate;(2S,4S)-2-hydroxymethyl-4-BOC-amino Pyrrolidine-HCL;
EINECS: 604-604-1
Density: 1.11 g/cm3
Boiling Point: 351.4 °C at 760 mmHg
Flash Point: 166.3 °C
PSA: 70.59000
LogP: 0.95360
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Specification

The [(3S,5S)-5-(Hydroxymethyl)-3-pyrrolidinyl]carbamic acid tert-butyl ester is an organic compound with the formula C10H20N2O3. The IUPAC name of this chemical is tert-butyl-[(3S,5S)-5-(hydroxymethyl)pyrrolidin-3-yl]carbamic acid. With the CAS registry number 663948-85-4, it is also named as carbamic acid, N-[(3S,5S)-5-(hydroxymethyl)-3-pyrrolidinyl]-, 1,1-dimethylethyl ester. The product's category is N-BOC.

Physical properties about [(3S,5S)-5-(Hydroxymethyl)-3-pyrrolidinyl]carbamic acid tert-butyl ester are: (1)ACD/LogP: 0.06; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 5; (9)Polar Surface Area: 70.59 Å2; (10)Index of Refraction: 1.5; (11)Molar Refractivity: 56.95 cm3; (12)Molar Volume: 193.3 cm3; (13)Polarizability: 22.58×10-24cm3; (14)Surface Tension: 42 dyne/cm; (15)Density: 1.11 g/cm3; (16)Flash Point: 166.3 °C; (17)Enthalpy of Vaporization: 69.03 kJ/mol; (18)Boiling Point: 351.4 °C at 760 mmHg; (19)Vapour Pressure: 2.43E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N[C@H]1C[C@H](NC1)CO
(2)InChI: InChI=1/C10H20N2O3/c1-10(2,3)15-9(14)12-7-4-8(6-13)11-5-7/h7-8,11,13H,4-6H2,1-3H3,(H,12,14)/t7-,8-/m0/s1
(3)InChIKey: DWYPGXBZFDWCPC-YUMQZZPRBC
(4)Std. InChI: InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-7-4-8(6-13)11-5-7/h7-8,11,13H,4-6H2,1-3H3,(H,12,14)/t7-,8-/m0/s1
(5)Std. InChIKey: DWYPGXBZFDWCPC-YUMQZZPRSA-N