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The IUPAC name of this chemical is 2-(phosphonomethylamino)acetic acid; propan-2-amine. With the CAS registry number 38641-94-0 and EINECS registry number 254-056-8, it is also named as Glyphosate isopropylamine salt. In addition, the molecular formula is C6H17N2O5P and the molecular weight is 228.18. It belongs to the classes of Phosphonic/Phosphinic Acid Salts; Organic Building Blocks; Phosphorus Compounds. And it is stable and incompatible with strong oxidizing agents.
Physical properties about Glyphosate isopropylamine salt are: (1)ACD/LogP: -2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.98; (4)ACD/LogD (pH 7.4): -6.75; (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: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 74.88 Å2; (13)Flash Point: 235.5 °C; (14)Enthalpy of Vaporization: 79.71 kJ/mol; (15)Boiling Point: 465.8 °C at 760 mmHg; (16)Vapour Pressure: 5.74E-10 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to the eyes. 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=C(O)CNCP(=O)(O)O.NC(C)C
(2)InChI: InChI=1/C3H8NO5P.C3H9N/c5-3(6)1-4-2-10(7,8)9;1-3(2)4/h4H,1-2H2,(H,5,6)(H2,7,8,9);3H,4H2,1-2H3
(3)InChIKey: ZEKANFGSDXODPD-UHFFFAOYAT
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LD50 | oral | 10537mg/kg (10537mg/kg) | Yakkyoku. Pharmacy. Vol. 36, Pg. 387, 1985. | |
rat | LD50 | skin | 7500mg/kg (7500mg/kg) | Yakkyoku. Pharmacy. Vol. 36, Pg. 387, 1985. |