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334-25-8

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Basic Information
CAS No.: 334-25-8
Name: 6-AMINO-6-OXO-HEXANOIC ACID
Article Data: 2
Molecular Structure:
Molecular Structure of 334-25-8 (6-AMINO-6-OXO-HEXANOIC ACID)
Formula: C6H11NO3
Molecular Weight: 145.158
Synonyms: Adipamicacid (6CI,8CI);Adipic acid monoamide;
Density: 1.18 g/cm3
Melting Point: 293°C
Boiling Point: 412.4 °C at 760 mmHg
Flash Point: 203.2 °C
PSA: 80.39000
LogP: 0.81700
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Specification

The Hexanoic acid,6-amino-6-oxo- is an organic compound with the formula C6H11NO3. The IUPAC name of this chemical is 6-Amino-6-oxohexanoic acid. With the CAS registry number 334-25-8, it is also named as Adipic acid monoamide. Besides, its molecular weight is 145.16.

Physical properties about Hexanoic acid,6-amino-6-oxo- are: (1)ACD/LogP: -0.91; (2)ACD/LogD (pH 5.5): -1.79; (3)ACD/LogD (pH 7.4): -3.59; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.01; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 46.61 Å2; (12)Index of Refraction: 1.48; (13)Molar Refractivity: 34.97 cm3; (14)Molar Volume: 122.9 cm3; (15)Polarizability: 13.86×10-24 cm3; (16)Surface Tension: 49.8 dyne/cm; (17)Density: 1.18 g/cm3; (18)Flash Point: 203.2 °C; (19)Enthalpy of Vaporization: 72.96 kJ/mol; (20)Boiling Point: 412.4 °C at 760 mmHg; (21)Vapour Pressure: 5.87E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)CCCCC(=O)O
(2)InChI: InChI=1/C6H11NO3/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H2,7,8)(H,9,10)
(3)InChIKey: NOIZJQMZRULFFO-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C6H11NO3/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H2,7,8)(H,9,10)
(5)Std. InChIKey: NOIZJQMZRULFFO-UHFFFAOYSA-N