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222530-34-9

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Basic Information
CAS No.: 222530-34-9
Name: BOC-1,3-CIS-ACHC-OH
Article Data: 6
Molecular Structure:
Molecular Structure of 222530-34-9 (BOC-1,3-CIS-ACHC-OH)
Formula: C12H21 N O4
Molecular Weight: 243.303
Synonyms: (1S,3R)-3-((tert-butoxycarbonyl)amino)cyclohexanecarboxylic acid;
Density: 1.12
Boiling Point: 396.7oC at 760 mmHg
Flash Point: 193.7oC
PSA: 75.63000
LogP: 2.54540
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Chemistry

Molecular Structure of (1S,3R)-3-[[(tert-Butoxy)carbonyl]amino]cyclohexanecarboxylic acid (CAS NO.222530-34-9):

Systematic Name: (1R,3S)-3-[(tert-Butoxycarbonyl)amino]cyclohexanecarboxylic acid 
Molecular Formula: C12H21NO4
Molecular Weight: 243.30 
Mol File: 222530-34-9.mol 
H bond acceptors: 5
H bond donors: 2
Freely Rotating Bonds: 4 
Nominal Mass: 243
Average Mass: 243.2994
Monoisotopic Mass: 243.147058
Index of Refraction: 1.493
Molar Refractivity: 62.68 cm3
Molar Volume: 215.3 cm3
Surface Tension: 42.3 dyne/cm
Density: 1.12 g/cm3
Flash Point: 193.7 °C
Enthalpy of Vaporization: 71.01 kJ/mol
Boiling Point: 396.7 °C at 760 mmHg
Vapour Pressure: 2.12E-07 mmHg at 25 °C
SMILES: O=C(OC(C)(C)C)N[C@@H]1C[C@H](C(=O)O)CCC1
InChI: InChI=1/C12H21NO4/c1-12(2,3)17-11(16)13-9-6-4-5-8(7-9)10(14)15/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)/t8-,9+/m1/s1
InChIKey: JSGHMGKJNZTKGF-BDAKNGLRBO

Specification

 (1S,3R)-3-[[(tert-Butoxy)carbonyl]amino]cyclohexanecarboxylic acid (CAS NO.222530-34-9), its Synonyms are Cyclohexanecarboxylicacid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, (1S,3R)- ;  Cis-(1S,3R)-(T-butyloxycarbonylamino)-cyclohexyl-carboxylic acid ; (1R,3S)-3-(tert-butoxycarbonylamino)cyclohexanecarboxylic acid .