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CAS No.: | 85098-96-0 |
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Name: | [[(3-butoxypropyl)imino]bis(methylene)]bisphosphonic acid |
Molecular Structure: | |
Formula: | C9H23NO7P2 |
Molecular Weight: | 319.23 |
Synonyms: | [[(3-Butoxypropyl)imino]bis(methylene)]bisphosphonic acid;(3-Butoxypropyl-(phosphonomethyl)amino)methylphosphonic acid; |
EINECS: | 285-450-8 |
Density: | 1.393 g/cm3 |
Boiling Point: | 549.5 °C at 760 mmHg |
Flash Point: | 286.1 °C |
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The Phosphonic acid,[[(3-butoxypropyl)imino]bis(methylene)]bis- (9CI), with the CAS registry number 85098-96-0, is also known as [[(3-Butoxypropyl)imino]bis(methylene)]bisphosphonic acid. Its EINECS number is 285-450-8. This chemical's molecular formula is C9H23NO7P2 and molecular weight is 319.23. What's more, its systematic name is (3-butoxypropyl-(phosphonomethyl)amino)methylphosphonic acid.
Physical properties of Phosphonic acid,[[(3-butoxypropyl)imino]bis(methylene)]bis- (9CI) are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 8; (3)#H bond donors: 4; (4)#Freely Rotating Bonds: 11; (5)Polar Surface Area: 147.15 Å2; (6)Index of Refraction: 1.515; (7)Molar Refractivity: 69.09 cm3; (8)Molar Volume: 229 cm3; (9)Polarizability: 27.39×10-24cm3; (10)Surface Tension: 63.5 dyne/cm; (11)Density: 1.393 g/cm3; (12)Flash Point: 286.1 °C; (13)Enthalpy of Vaporization: 90.68 kJ/mol; (14)Boiling Point: 549.5 °C at 760 mmHg; (15)Vapour Pressure: 1.6E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=P(O)(O)CN(CP(O)(O)=O)CCCOCCCC
(2)InChI: InChI=1S/C9H23NO7P2/c1-2-3-6-17-7-4-5-10(8-18(11,12)13)9-19(14,15)16/h2-9H2,1H3,(H2,11,12,13)(H2,14,15,16)
(3)InChIKey: LVOJNULPXOXYRA-UHFFFAOYSA-N