Boc-(+/-)-cis-3-aminocyclohexane 1-carboxylic acid supplier

Name
BOC-(+/-)-CIS-3-AMINOCYCLOHEXANE-1-CARBOXYLIC ACID
EINECS
CAS No. 222530-33-8
Article Data24
CAS DataBase
Density 1.12 g/cm³
Solubility
Melting Point 143-147℃
Formula C₁₂H₂₁NO₄
Boiling Point 396.7 °C at 760 mmHg
Molecular Weight 243.30
Flash Point 193.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-[(tert-Butoxycarbonyl)amino]cyclohexanecarboxylic acid;Cyclohexanecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-;3-(Boc-amino)cyclohexanecarboxylic acid;cis-3-(tert-Butoxycarbonylamino)cyclohexanecarboxylic acid;
PSA 75.63000
LogP 2.54540

Boc-(+/-)-cis-3-aminocyclohexane 1-carboxylic acid Specification

The Boc-(+/-)-cis-3-aminocyclohexane 1-carboxylic acid with CAS registry number of 222530-33-8 is also known as Cyclohexanecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-. The systematic name is 3-[(tert-Butoxycarbonyl)amino]cyclohexanecarboxylic acid. It belongs to product categories of Beta-Amino Acids; Peptide Synthesis; Unnatural Amino Acid Derivatives. In addition, the formula is C₁₂H₂₁NO₄ and the molecular weight is 243.30.

Physical properties about Boc-(+/-)-cis-3-aminocyclohexane 1-carboxylic acid are: (1)ACD/LogP: 1.86; (2)ACD/LogD (pH 5.5): 1.03; (3)ACD/LogD (pH 7.4): -0.77; (4)ACD/BCF (pH 5.5): 2.25; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 36.01; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.493; (12)Molar Refractivity: 62.68 cm³; (13)Molar Volume: 215.3 cm³; (14)Surface Tension: 42.3 dyne/cm; (15)Density: 1.12 g/cm³; (16)Flash Point: 193.7 °C; (17)Enthalpy of Vaporization: 71.01 kJ/mol; (18)Boiling Point: 396.7 °C at 760 mmHg; (19)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)NC1CC(C(=O)O)CCC1
2. 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)
3. InChIKey: JSGHMGKJNZTKGF-UHFFFAOYAI
4. Std. InChI: InChI=1S/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)
5. Std. InChIKey: JSGHMGKJNZTKGF-UHFFFAOYSA-N

Product Name

BOC-(+/-)-CIS-3-AMINOCYCLOHEXANE-1-CARBOXYLIC ACID

Boc-(+/-)-cis-3-aminocyclohexane 1-carboxylic acid Specification

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