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| CAS No.: | 23052-80-4 |
|---|---|
| Name: | L-AP3 |
| Article Data: | 1 |
| Molecular Structure: | |
|
|
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| Formula: | C3H8NO5P |
| Molecular Weight: | 169.074 |
| Synonyms: | Alanine,3-phosphono-, L- (8CI);(R)-2-Amino-3-phosphonopropanoic acid;3-Phosphono-L-alanine;L-2-Amino-3-phosphonopropionic acid;L-AP 3;NSC 133887; |
| Density: | 1.763 g/cm3 |
| Melting Point: | 227-229 °C |
| Boiling Point: | 481.6 °C at 760 mmHg |
| Flash Point: | 245.1 °C |
| Solubility: | Soluble in water |
| Appearance: | White hygroscopic solid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 130.66000 |
| LogP: | -0.72370 |
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Specification
The L-Alanine, 3-phosphono-, with the CAS registry number 23052-80-4, is also known as L-2-Amino-3-phosphonopropionic acid. This chemical's molecular formula is C3H8NO5P and molecular weight is 169.07. What's more, its IUPAC name is 2-amino-3-phosphonopropanoic acid. It should be protected from strong oxidants.
Physical properties of L-Alanine, 3-phosphono- are: (1)ACD/LogP: -2.29; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -5.79; (4)ACD/LogD (pH 7.4): -6.06; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 1 ; (7)#H bond acceptors: 6; (8)#H bond donors: 5; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 74.88 Å2; (11)Index of Refraction: 1.558; (12)Molar Refractivity: 30.94 cm3; (13)Molar Volume: 95.8 cm3; (14)Polarizability: 12.26×10-24cm3; (15)Surface Tension: 102.7 dyne/cm; (16)Density: 1.763 g/cm3; (17)Flash Point: 245.1 °C; (18)Enthalpy of Vaporization: 81.75 kJ/mol; (19)Boiling Point: 481.6 °C at 760 mmHg; (20)Vapour Pressure: 1.34E-10 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(C(C(=O)O)N)P(=O)(O)O
(2)InChI: InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)
(3)InChIKey: LBTABPSJONFLPO-UHFFFAOYSA-N