Products Categories
| CAS No.: | 1939-36-2 |
|---|---|
| Name: | 1,3-Propylenediaminetertaacetic acid |
| Article Data: | 5 |
| Molecular Structure: | |
|
|
|
| Formula: | C11H18N2O8 |
| Molecular Weight: | 306.273 |
| Synonyms: | Aceticacid, (trimethylenedinitrilo)tetra- (6CI,7CI,8CI);1,3-Diaminopropane-N,N,N',N'-tetraacetic acid;1,3-PDTA;1,3-Propanediamine-N,N,N',N'-tetraacetic acid;Chelest PD 4H;NSC 18484;Trimethylenediaminetetraacetic acid; |
| EINECS: | 400-400-9 |
| Density: | 1.508 g/cm3 |
| Melting Point: | ~250 °C (dec.) |
| Boiling Point: | 620.502 °C at 760 mmHg |
| Flash Point: | 329.068 °C |
| Solubility: | Soluble in water |
| Appearance: | White crystal |
| Hazard Symbols: |
 Xn,  N
|
| Risk Codes: | 22-41-50/53 |
| Safety: | 22-26-39-60-61 |
| Transport Information: | UN3077 9/PG 3 |
| PSA: | 155.68000 |
| LogP: | -1.68110 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 211914-50-0N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-(2-pyridinyl)-beta-alanine ethyl ester hydrochloride
- 240444-70-62,3,5,6-Tetrafluor-4-(methoxymethyl)benzyl-2,2-dimethyl-3-(prop-1-en-1-yl)cyclopropancarboxylat
What can I do for you?
Get Best Price
Specification
The IUPAC name of 1,3-Propylenediaminetertaacetic acid is 2-[3-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid. With the CAS registry number 1939-36-2, it is also named as Trimethylenediaminetetraacetic acid. The product's category is Organic Acids. It is white crystal which should be sealed in the container and stored in the cool and dry place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: -1.51; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -6.5; (4)ACD/LogD (pH 7.4): -6.58; (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: 10; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 12; (12)Index of Refraction: 1.57; (13)Molar Refractivity: 66.71 cm3; (14)Molar Volume: 203.1 cm3; (15)Polarizability: 26.44×10-24 cm3; (16)Surface Tension: 80.4 dyne/cm; (17)Enthalpy of Vaporization: 100.38 kJ/mol; (18)Vapour Pressure: 5.42E-17 mmHg at 25°C; (19)Rotatable Bond Count: 12; (20)Exact Mass: 306.106316; (21)MonoIsotopic Mass: 306.106316; (22)Topological Polar Surface Area: 156; (23)Heavy Atom Count: 21; (24)Complexity: 330.
Uses of 1,3-Propylenediaminetertaacetic acid: It can used to produce C11H18N2O10. This reaction needs reagent aq. H2O2 and solvent acetic acid at temperature of 20 °C. The yield is 72%.
.gif)
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and dangerous to the eyes, so people should not breathe dust. And it is also very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear eye / face protection. This material and its container must be disposed of as hazardous waste. Avoid release to the environment.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C(O)CN(CCCN(CC(=O)O)CC(=O)O)CC(=O)O
2. InChI:InChI=1/C11H18N2O8/c14-8(15)4-12(5-9(16)17)2-1-3-13(6-10(18)19)7-11(20)21/h1-7H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)
The following are the toxicity data which has been tested.
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | skin | > 1gm/kg (1000mg/kg) | National Technical Information Service. Vol. OTS0546344, | |
| rat | LD50 | oral | 1600mg/kg (1600mg/kg) | BEHAVIORAL: FOOD INTAKE (ANIMAL) BEHAVIORAL: MUSCLE WEAKNESS GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | National Technical Information Service. Vol. OTS0546344, |