3-Amino-octanoic acid supplier

Name
3-Amino-octanoic acid
EINECS
CAS No. 104883-49-0
Article Data5
CAS DataBase
Density 0.999 g/cm³
Solubility
Melting Point
Formula C₈H₁₇NO₂
Boiling Point 273.2 °C at 760 mmHg
Molecular Weight 159.23
Flash Point 119 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Aminooctanoic acid;
PSA 63.32000
LogP 2.06900

3-Amino-octanoic acid Specification

The 3-Amino-octanoic acid, with the CAS registry number 104883-49-0, is also known as Octanoic acid, 3-amino-, (1)-. This chemical's molecular formula is C₈H₁₇NO₂ and molecular weight is 159.23. What's more, its systematic name is 3-Aminooctanoic acid.

Physical properties about 3-Amino-octanoic acid are: (1)ACD/LogP: 1.62; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 29.54 Å²; (11)Index of Refraction: 1.466; (12)Molar Refractivity: 44.17 cm³; (13)Molar Volume: 159.2 cm³; (14)Polarizability: 17.51×10^-24 cm³; (15)Surface Tension: 39.2 dyne/cm; (16)Density: 0.999 g/cm³; (17)Flash Point: 119 °C; (18)Enthalpy of Vaporization: 56.3 kJ/mol; (19)Boiling Point: 273.2 °C at 760 mmHg; (20)Vapour Pressure: 0.00161 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CC(N)CCCCC
(2) InChI: InChI=1/C8H17NO2/c1-2-3-4-5-7(9)6-8(10)11/h7H,2-6,9H2,1H3,(H,10,11)
(3) InChIKey: FYHHDJRMDOBZJF-UHFFFAOYAQ

Product Name

3-Amino-octanoic acid

3-Amino-octanoic acid Specification

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