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| CAS No.: | 55930-29-5 |
|---|---|
| Name: | 2-BUTYRYL AMINO PROPIONIC ACID |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C7H13NO3 |
| Molecular Weight: | 159.185 |
| Synonyms: | Alanine, N-(1-oxobutyl)-; |
| EINECS: | 1312995-182-4 |
| Density: | 1.097 g/cm3 |
| Boiling Point: | 371.8 °C at 760 mmHg |
| Flash Point: | 178.7 °C |
| PSA: | 66.40000 |
| LogP: | 0.76670 |
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Specification
The systematic name of 2-Butyrylaminopropionic acid is N-Butanoylalanine. With the CAS registry number 55930-29-5, it is also named as Alanine, N-(1-oxobutyl)-. The product's category is erectile dysfunction, its molecular formula is C7H13NO3 and its molecular weight is 159.18.
The other characteristics of 2-Butyrylaminopropionic acid can be summarized as: (1)ACD/LogP: 0.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.09; (4)ACD/LogD (pH 7.4): -3.56; (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: 4; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.458; (14)Molar Refractivity: 39.62 cm3; (15)Molar Volume: 145 cm3; (16)Polarizability: 15.7×10-24cm3; (17)Surface Tension: 39.1 dyne/cm; (18)Density: 1.097 g/cm3; (19)Flash Point: 178.7 °C; (20)Enthalpy of Vaporization: 67.96 kJ/mol; (21)Boiling Point: 371.8 °C at 760 mmHg; (22)Vapour Pressure: 1.5E-06 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(NC(C(=O)O)C)CCC
(2)InChI:InChI=1/C7H13NO3/c1-3-4-6(9)8-5(2)7(10)11/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)
(3)InChIKey:DTIMTCJMOWXMGT-UHFFFAOYAL
(4)Std. InChI:InChI=1S/C7H13NO3/c1-3-4-6(9)8-5(2)7(10)11/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)
(5)Std. InChIKey:DTIMTCJMOWXMGT-UHFFFAOYSA-N