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Boc-tranexamic acid

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Name

Boc-tranexamic acid

EINECS N/A
CAS No. 27687-14-5 Density 1.096 g/cm3
PSA 75.63000 LogP 2.79300
Solubility N/A Melting Point 133.0 to 137.0 °C
Formula C13H23NO4 Boiling Point 410 °C at 760 mmHg
Molecular Weight 257.33 Flash Point 201.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 27687-14-5 (BOC-TRANEXAMIC ACID) Hazard Symbols N/A
Synonyms

Cyclohexanecarboxylicacid, 4-[(carboxyamino)methyl]-, N-tert-butyl ester, trans- (8CI);BOC-Tranexamic acid;trans-1-[((tert-Butyloxycarbonyl)amino)methyl]cyclohexane-4-carboxylic acid;trans-4-(tert-Butoxycarbonylaminomethyl)cyclohexanecarboxylic acid;trans-4-tert-Butoxycarbonylaminomethylcyclohexylcarboxylic acid;

Article Data 20

Boc-tranexamic acid Specification

The CAS register number of Boc-tranexamic acid is 27687-14-5. It also can be called as trans-4-(tert-Butoxycarbonylaminomethyl)cyclohexanecarboxylic acid and the systematic name about this chemical is 4-{[(tert-butoxycarbonyl)amino]methyl}cyclohexanecarboxylic acid. The molecular formula about this chemical is C13H23NO4 and molecular weight is 257.33. It belongs to the Amino Acids.

Physical properties about Boc-tranexamic acid are: (1)ACD/LogP: 2.10; (2)ACD/LogD (pH 5.5): 1.45; (3)ACD/LogD (pH 7.4): ; (4)ACD/BCF (pH 5.5): 5.2; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 74.21; (7)ACD/KOC (pH 7.4): 1.26; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 55.84Å2; (12)Index of Refraction: 1.482; (13)Molar Refractivity: 66.97 cm3; (14)Molar Volume: 234.6 cm3; (15)Polarizability: 26.54x10-24cm3; (16)Surface Tension: 39.7 dyne/cm; (17)Enthalpy of Vaporization: 72.66 kJ/mol; (18)Boiling Point: 410 °C at 760 mmHg; (19)Vapour Pressure: 7.17E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)NCC1CCC(C(=O)O)CC1
(2)InChI: InChI=1/C13H23NO4/c1-13(2,3)18-12(17)14-8-9-4-6-10(7-5-9)11(15)16/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)
(3)InChIKey: AZEKNJGFCSHZID-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C13H23NO4/c1-13(2,3)18-12(17)14-8-9-4-6-10(7-5-9)11(15)16/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)
(5)Std. InChIKey: AZEKNJGFCSHZID-UHFFFAOYSA-N

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