Product Name

  • Name

    2-(Formylamino)butanoic acid

  • EINECS
  • CAS No. 82413-57-8
  • Article Data4
  • CAS DataBase
  • Density 1.168 g/cm3
  • Solubility
  • Melting Point
  • Formula C5H9NO3
  • Boiling Point 367.6 °C at 760 mmHg
  • Molecular Weight 131.131
  • Flash Point 176.1 °C
  • Transport Information
  • Appearance
  • Safety 26-36/37/39
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 82413-57-8 (2-(Formylamino)butanoic acid)
  • Hazard Symbols Xi
  • Synonyms 2-(Formylamino)butanoic acid;
  • PSA 66.40000
  • LogP 0.62240

2-(Formylamino)butanoic acid Specification

The systematic name of 2-(Formylamino)butanoic acid is 2-(formylamino)butanoic acid. With the CAS registry number 82413-57-8, it is also named as Butanoic acid,2-(formylamino)-. The product's molecular formula is C5H9NO3 and its molecular weight is 131.13. 

The other characteristics of 2-(Formylamino)butanoic acid can be summarized as: (1)ACD/LogP: -0.08 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): -2.32 ; (4)ACD/LogD (pH 7.4): -3.68 ; (5)ACD/BCF (pH 5.5): 1 ; (6)ACD/BCF (pH 7.4): 1 ; (7)ACD/KOC (pH 5.5): 1 ; (8)ACD/KOC (pH 7.4): 1 ; (9)H bond acceptors: 4 ; (10)H bond donors: 2 ; (11)Freely Rotating Bonds: 3; (12)Index of Refraction: 1.456 ; (13)Molar Refractivity: 30.51 cm3 ; (14)Molar Volume: 112.2 cm3; (15)Surface Tension: 42.8 dyne/cm ; (16)Density: 1.168 g/cm3 ; (17)Flash Point: 176.1 °C ; (18)Enthalpy of Vaporization: 67.45 kJ/mol ; (19)Boiling Point: 367.6 °C at 760 mmHg ; (20)Vapour Pressure: 2.07E-06 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
The product irritate to eyes, respiratory system and skin. So when you use it, you can wear suitable protective clothing, gloves and eye/face protection. In addition, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure:
(1)SMILES:O=C(O)C(NC=O)CC;
(2)InChI:InChI=1/C5H9NO3/c1-2-4(5(8)9)6-3-7/h3-4H,2H2,1H3,(H,6,7)(H,8,9);
(3)InChIKey:QAISXTKWTBOYAA-UHFFFAOYAX ;
(4)Std. InChI:InChI=1S/C5H9NO3/c1-2-4(5(8)9)6-3-7/h3-4H,2H2,1H3,(H,6,7)(H,8,9);
(5)Std. InChIKey:QAISXTKWTBOYAA-UHFFFAOYSA-N.

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