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Ethyl 7-aminoheptanoate

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Name

Ethyl 7-aminoheptanoate

EINECS N/A
CAS No. 1117-66-4 Density 0.94 g/cm3
PSA 52.32000 LogP 2.15900
Solubility N/A Melting Point N/A
Formula C9H19NO2 Boiling Point 231.511 °C at 760 mmHg
Molecular Weight 173.255 Flash Point 98.272 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1117-66-4 (7-AMINO-HEPTANOIC ACID HCL ,98.0+%) Hazard Symbols N/A
Synonyms

7-Aminoheptanoicacid ethyl ester;

Article Data 1

Ethyl 7-aminoheptanoate Specification

The Heptanoic acid,7-amino-, ethyl ester, with the CAS registry number 1117-66-4, is also known as 7-Aminoheptanoicacidethylester. This chemical's molecular formula is C9H19NO2 and molecular weight is 173.25. What's more, its systematic name is called Ethyl 7-aminoheptanoate.

Physical properties about Heptanoic acid,7-amino-, ethyl ester are: (1)ACD/LogP: 1.644; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.45; (4)ACD/LogD (pH 7.4): -1.21; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 52.32 Å2; (13)Index of Refraction: 1.445; (14)Molar Refractivity: 49.055 cm3; (15)Molar Volume: 184.256 cm3; (16)Polarizability: 19.447×10-24cm3; (17)Surface Tension: 33.711 dyne/cm; (18)Density: 0.94 g/cm3; (19)Flash Point: 98.272 °C; (20)Enthalpy of Vaporization: 46.817 kJ/mol; (21)Boiling Point: 231.511 °C at 760 mmHg; (22)Vapour Pressure: 0.062 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)CCCCCCN
(2) InChI: InChI=1S/C9H19NO2/c1-2-12-9(11)7-5-3-4-6-8-10/h2-8,10H2,1H3
(3) InChIKey: VBPPJUXIEMSWDT-UHFFFAOYSA-N

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