CAS No.1117-66-4,7-AMINO-HEPTANOIC ACID HCL ,98.0+% Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1117-66-4
Name:	7-AMINO-HEPTANOIC ACID HCL ,98.0+%
Article Data:	1

Formula:	C₉H₁₉NO₂
Molecular Weight:	173.255
Synonyms:	7-Aminoheptanoicacid ethyl ester;
Density:	0.94 g/cm³
Boiling Point:	231.511 °C at 760 mmHg
Flash Point:	98.272 °C
PSA:	52.32000
LogP:	2.15900

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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