1-Methylazepane-2-carboxylic acid supplier

Name
1-Methylazepane-2-carboxylic acid
EINECS
CAS No. 5227-51-0
Density 1.065 g/cm³
Solubility
Melting Point
Formula C₈H₁₅NO₂
Boiling Point 264.9 °C at 760 mmHg
Molecular Weight 157.21
Flash Point 114 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Azepine-2-carboxylic acid, hexahydro-1-methyl-;
PSA 40.54000
LogP 0.88330

1-Methylazepane-2-carboxylic acid Specification

The IUPAC name of this chemical is 1-Methylazepane-2-carboxylic acid. With the CAS registry number 5227-51-0 , it is also named as 1H-azepine-2-carboxylic acid, hexahydro-1-methyl-. In addition, the molecular formula is C₈H₁₅NO₂ and the molecular weight is 157.21. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 0.96; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 29.54 Å²; (10)Index of Refraction: 1.482; (11)Molar Refractivity: 42.05 cm³; (12)Molar Volume: 147.4 cm³; (13)Polarizability: 16.67 ×10^-24cm³; (14)Surface Tension: 38.4 dyne/cm; (15)Density: 1.065 g/cm³; (16)Flash Point: 114 °C; (17)Enthalpy of Vaporization: 55.35 kJ/mol; (18)Boiling Point: 264.9 °C at 760 mmHg; (19)Vapour Pressure: 0.00275 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C1N(C)CCCCC1
(2)InChI: InChI=1/C8H15NO2/c1-9-6-4-2-3-5-7(9)8(10)11/h7H,2-6H2,1H3,(H,10,11)
(3)InChIKey: ZIXXDILCCSWEGB-UHFFFAOYAV

Product Name

1-Methylazepane-2-carboxylic acid

1-Methylazepane-2-carboxylic acid Specification

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