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862372-86-9

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Basic Information
CAS No.: 862372-86-9
Name: (R)-3-AMINO-1-(TERT-BUTOXYCARBONYL)PIPERIDINE-3-CARBOXYLIC ACID
Molecular Structure:
Molecular Structure of 862372-86-9 ((R)-3-AMINO-1-(TERT-BUTOXYCARBONYL)PIPERIDINE-3-CARBOXYLIC ACID)
Formula: C11H20N2O4
Molecular Weight: 244.29
Synonyms: 1,3-piperidinedicarboxylic acid, 3-amino-, 1-(1,1-dimethylethyl) ester, (3R)-;(3R)-3-Amino-1-(tert-butoxycarbonyl)piperidine-3-carboxylic acid;(R)-1-Boc-3-Aminopiperidine-3-carboxylic acid;
Density: 1.203 g/cm3
Boiling Point: 380.1 °C at 760 mmHg
Flash Point: 183.7 °C
PSA: 92.86000
LogP: 1.43760
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Specification

The (R)-1-Boc-3-Aminopiperidine-3-carboxylic acid, with the CAS registry number 862372-86-9, has the systematic name of 1,3-piperidinedicarboxylic acid, 3-amino-, 1-(1,1-dimethylethyl) ester, (3R)-. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C11H20N2O4.

The characteristics of (R)-1-Boc-3-Aminopiperidine-3-carboxylic acid are as followings: (1)ACD/LogP: 0.47; (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: 6; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 92.86 Å2; (11)Index of Refraction: 1.513; (12)Molar Refractivity: 61 cm3; (13)Molar Volume: 202.9 cm3; (14)Polarizability: 24.18×10-24cm3; (15)Surface Tension: 49.1 dyne/cm; (16)Density: 1.203 g/cm3; (17)Flash Point: 183.7 °C; (18)Enthalpy of Vaporization: 68.98 kJ/mol; (19)Boiling Point: 380.1 °C at 760 mmHg; (20)Vapour Pressure: 7.87E-07 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCC[C@@](C1)(C(=O)O)N
(2)InChI: InChI=1/C11H20N2O4/c1-10(2,3)17-9(16)13-6-4-5-11(12,7-13)8(14)15/h4-7,12H2,1-3H3,(H,14,15)/t11-/m1/s1
(3)InChIKey: OSYGMOYBKKZJES-LLVKDONJBL