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3-Aminoadipic acid

  • Name 3-Aminoadipic acid
  • EINECSN/A
  • CAS No. 40967-78-0
  • Density1.333 g/cm3
  • PSA100.62000
  • LogP0.35350
  • SolubilityN/A
  • Melting Point205 °C (dec.)(lit.)
  • FormulaC6H11NO4
  • Boiling Point375.5 °C at 760 mmHg
  • Molecular Weight161.16
  • Flash Point180.9 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety26-36
  • Risk Codes36/37/38
  • Molecular Structure
    Molecular Structure of 40967-78-0 (3-Aminoadipic acid)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data10

3-Aminoadipic acid Specification

The 3-Aminoadipic acid, with the CAS registry number 40967-78-0, is also known as Hexanedioic acid, 3-amino-. This chemical's molecular formula is C6H11NO4 and molecular weight is 161.16. What's more, its systematic name is 3-Aminohexanedioic acid.

Physical properties about 3-Aminoadipic acid are: (1)ACD/LogP: -0.68; (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: 5; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 55.84 Å2; (11)Index of Refraction: 1.515; (12)Molar Refractivity: 36.46 cm3; (13)Molar Volume: 120.8 cm3; (14)Polarizability: 14.45×10-24 cm3; (15)Surface Tension: 63.2 dyne/cm; (16)Density: 1.333 g/cm3; (17)Flash Point: 180.9 °C; (18)Enthalpy of Vaporization: 68.41 kJ/mol; (19)Boiling Point: 375.5 °C at 760 mmHg; (20)Vapour Pressure: 1.13E-06 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CCC(N)CC(=O)O
(2) InChI: InChI=1/C6H11NO4/c7-4(3-6(10)11)1-2-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)
(3) InChIKey: XABCFXXGZPWJQP-UHFFFAOYAS

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