N-acetyl-L-alanine

admin — Wed, 29 May 2024 09:03:58 +0000

Structural formula

Business number	02CL
Molecular formula	C5H9NO3
Molecular weight	131.13
label	N-acetyl-L-alpha-alanine, N-acetyl-L-aniline, N-acetyl alanine, Alpha-acetamide propionic acid, Acetyl-L-alanine, Alpha-acetamide propionic acid, N-alpha-acetyl-l-alanine, N-acetyl-l-alanine, N-acetyl-l-a-alanine, N-acetyl-l-ala, H-acetyl-ala-oh, Acetyl-l-alanine, Ac-ala-oh, Ac-alanine

Numbering system

CAS number:97-69-8

MDL number:MFCD00063132

EINECS number:202-602-0

RTECS number:None

BRN number:1722932

PubChem number:24890887

Physical property data

Characteristics: white solid.
Density (g/mL, 20℃): Undetermined
Relative vapor density (g/mL, air=1): Undetermined
Melting point ( ºC): 125-126
Boiling point (ºC, normal pressure): Undetermined
Boiling point (ºC, KPa): Undetermined
Refractive index: Undetermined Determined
Flash point (ºC): Not determined
Specific optical rotation (º): Not determined
Autoignition point or ignition temperature (ºC): Not determined Determined
Vapor pressure (mmHg, ºC): Undetermined
Saturation vapor pressure (kPa, ºC): Undetermined
Heat of combustion (KJ/mol) : Undetermined
Critical temperature (ºC): Undetermined
Critical pressure (KPa): Undetermined
Oil-water (octanol/water) partition coefficient Log value: Undetermined
Upper explosion limit (%, V/V): Undetermined
Lower explosion limit (%, V/V): Undetermined
Solubility: Not determined

Toxicological data

None

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 27.26

2. Molar volume (cm³/mol): 93.0

3. Isotonic specific volume (90.2K ): 260.2

4. Surface tension (dyne/cm): 61.2

5. Polarizability (10-24cm3): 10.80

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -0.9

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 2

6. Topological molecular pole��Surface area (TPSA): 66.4

7, Number of heavy atoms: 9

8, Surface charge: 0

9, Complexity: 132

10. Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 0

12. Number of uncertain atomic stereocenters: 1

13. The number of determined stereocenters of chemical bonds: 0

14. The number of uncertain stereocenters of chemical bonds: 0

15. The number of covalent bond units: 1

Properties and stability

Avoid contact with oxidizing agents.

Storage method

1. Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.

Synthesis method