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2-Butyrylaminopropionic acid

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Name

2-Butyrylaminopropionic acid

EINECS 1312995-182-4
CAS No. 55930-29-5 Density 1.097 g/cm3
PSA 66.40000 LogP 0.76670
Solubility N/A Melting Point N/A
Formula C7H13NO3 Boiling Point 371.8 °C at 760 mmHg
Molecular Weight 159.185 Flash Point 178.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 55930-29-5 (2-BUTYRYL AMINO PROPIONIC ACID) Hazard Symbols N/A
Synonyms

Alanine, N-(1-oxobutyl)-;

Article Data 2

2-Butyrylaminopropionic acid 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

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