1-Tert-butoxycarbonylamino-cycloheptanecarboxylic acid supplier

Name
1-Tert-butoxycarbonylamino-cycloheptanecarboxylic acid
EINECS
CAS No. 199330-56-8
Article Data2
CAS DataBase
Density 1.11 g/cm³
Solubility
Melting Point
Formula C₁₃H₂₃NO₄
Boiling Point 405.6 °C at 760 mmHg
Molecular Weight 257.33
Flash Point 199.1 °C
Transport Information
Appearance
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms Boc-1-amino-cycloheptane carboxylic acid;cycloheptanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-;1-{[(tert-butoxy)carbonyl]amino}cycloheptane-1-carboxylic acid;1-Aminocycloheptanecarboxylic acid, N-BOC protected;
PSA 75.63000
LogP 3.07960

1-Tert-butoxycarbonylamino-cycloheptanecarboxylic acid Specification

The CAS register number of 1-Tert-butoxycarbonylamino-cycloheptanecarboxylic acid is 199330-56-8. It also can be called as 1-Aminocycloheptanecarboxylic acid, N-BOC protected and the IUPAC name about this chemical is 1-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptane-1-carboxylic acid. The molecular formula about this chemical is C₁₃H₂₃NO₄ and the molecular weight is 257.33. It belongs to the Pharmacetical.

Physical properties about 1-Tert-butoxycarbonylamino-cycloheptanecarboxylic acid are: (1)ACD/LogP: 2.85; (2)ACD/LogD (pH 5.5): 1.03; (3)ACD/LogD (pH 7.4): -0.58; (4)ACD/BCF (pH 5.5): 1.31; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 12.79; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 55.84Å²; (12)Index of Refraction: 1.495; (13)Molar Refractivity: 67.36 cm³; (14)Molar Volume: 230.8 cm³; (15)Polarizability: 26.7x10^-24cm³; (16)Surface Tension: 42.5 dyne/cm; (17)Flash Point: 199.1 °C; (18)Enthalpy of Vaporization: 72.12 kJ/mol; (19)Boiling Point: 405.6 °C at 760 mmHg; (20)Vapour Pressure: 1.03E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)NC1(C(=O)O)CCCCCC1
(2)InChI: InChI=1/C13H23NO4/c1-12(2,3)18-11(17)14-13(10(15)16)8-6-4-5-7-9-13/h4-9H2,1-3H3,(H,14,17)(H,15,16)
(3)InChIKey: JCLYWYJWZJDMKY-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C13H23NO4/c1-12(2,3)18-11(17)14-13(10(15)16)8-6-4-5-7-9-13/h4-9H2,1-3H3,(H,14,17)(H,15,16)
(5)Std. InChIKey: JCLYWYJWZJDMKY-UHFFFAOYSA-N

Product Name

1-Tert-butoxycarbonylamino-cycloheptanecarboxylic acid

1-Tert-butoxycarbonylamino-cycloheptanecarboxylic acid Specification

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