4-(Boc-amino)cyclohexanecarboxylic acid supplier

Name
4-(BOC-AMINO)CYCLOHEXANECARBOXYLIC ACID
EINECS
CAS No. 130309-46-5
Article Data26
CAS DataBase
Density 1.12 g/cm³
Solubility
Melting Point
Formula C₁₂H₂₁NO₄
Boiling Point 396.7 °C at 760 mmHg
Molecular Weight 243.303
Flash Point 193.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(t-Butyloxycarbonylamino)cyclohexyl-4-carboxylic acid;
PSA 75.63000
LogP 2.54540

4-(Boc-amino)cyclohexanecarboxylic acid Specification

The Cyclohexanecarboxylicacid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, with the CAS registry number of 130309-46-5, is also known as 1-(t-Butyloxycarbonylamino)cyclohexyl-4-carboxylic acid. Its molecular formula is C₁₂H₂₁NO₄ and molecular weight is 243.3. What's more, its systematic name is 4-[(tert-Butoxycarbonyl)amino]cyclohexanecarboxylic acid.

Physical properties about the Cyclohexanecarboxylicacid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]- are: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.19; (4)ACD/LogD (pH 7.4): -0.59; (5)ACD/BCF (pH 5.5): 3.22; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 50.58; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.493; (14)Molar Refractivity: 62.68 cm³; (15)Molar Volume: 215.3 cm³; (16)Surface Tension: 42.3 dyne/cm; (17)Density: 1.12 g/cm³; (18)Flash Point: 193.7 °C; (19)Enthalpy of Vaporization: 71.01 kJ/mol; (20)Boiling Point: 396.7 °C at 760 mmHg; (21)Vapour Pressure: 2.12E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)NC1CCC(C(=O)O)CC1
(2) InChI: InChI=1/C12H21NO4/c1-12(2,3)17-11(16)13-9-6-4-8(5-7-9)10(14)15/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)
(3) InChIKey: KXMRDHPZQHAXML-UHFFFAOYAS

Product Name

4-(BOC-AMINO)CYCLOHEXANECARBOXYLIC ACID

4-(Boc-amino)cyclohexanecarboxylic acid Specification

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