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| CAS No.: | 20263-07-4 |
|---|---|
| Name: | DL-2-AMINO-4-PHOSPHONOBUTYRIC ACID |
| Molecular Structure: | |
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| Formula: | C4H10NO5P |
| Molecular Weight: | 183.0997 |
| Synonyms: | Butyricacid, 2-amino-4-phosphono- (6CI,7CI,8CI);3-Amino-3-carboxypropylphosphonic acid;DL-2-Amino-4-phosphonobutanoic acid;DL-2-Amino-4-phosphonobutyric acid;NSC 30079;NSC 354086; |
| Density: | 1.628 g/cm3 |
| Melting Point: | 225 °C |
| Boiling Point: | 491.7 °C at 760 mmHg |
| Flash Point: | 251.2 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 130.66000 |
| LogP: | -0.33360 |
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Specification
The CAS register number of Butanoic acid,2-amino-4-phosphono- is 20263-07-4. It also can be called as (±)-2-Amino-4-phosphonobutyric acid and the IUPAC name about this chemical is 2-amino-4-phosphonobutanoic acid. The molecular formula about this chemical is C4H10NO5P and the molecular weight is 183.1. It belongs to the following product categories which include Glutamate receptor; Glutamate and so on.
Physical properties about Butanoic acid,2-amino-4-phosphono- are: (1)ACD/LogP: -2.39; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -5.89; (4)ACD/LogD (pH 7.4): -6.02; (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: 6; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 74.88Å2; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 35.58 cm3; (15)Molar Volume: 112.4 cm3; (16)Polarizability: 14.1x10-24cm3; (17)Surface Tension: 88.8 dyne/cm; (18)Flash Point: 251.2 °C; (19)Enthalpy of Vaporization: 83.05 kJ/mol; (20)Boiling Point: 491.7 °C at 760 mmHg; (21)Vapour Pressure: 5.18E-11 mmHg at 25°C.
Preparation: this chemical can be prepared by amino-3 cyano-3 propylphosphonate de diethyle at heating. This reaction will need reagent 8M HCl. The reaction time is 15 hour(s). The yield is about 64%.
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Uses of Butanoic acid,2-amino-4-phosphono-: it can be used to produce 2-N-benzoylamino-4-phosphonobutyric acid with benzoyl chloride. This reaction will need reagent aq. NaOH.
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When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=P(O)(O)CCC(C(=O)O)N
(2)InChI: InChI=1/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)
(3)InChIKey: DDOQBQRIEWHWBT-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)
(5)Std. InChIKey: DDOQBQRIEWHWBT-UHFFFAOYSA-N