-
Name
[[(3-butoxypropyl)imino]bis(methylene)]bisphosphonic acid
- EINECS 285-450-8
- CAS No. 85098-96-0
- Density 1.393 g/cm3
- Solubility
- Melting Point
- Formula C9H23NO7P2
- Boiling Point 549.5 °C at 760 mmHg
- Molecular Weight 319.23
- Flash Point 286.1 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms [[(3-Butoxypropyl)imino]bis(methylene)]bisphosphonic acid;(3-Butoxypropyl-(phosphonomethyl)amino)methylphosphonic acid;
- PSA
- LogP
Phosphonic acid,[[(3-butoxypropyl)imino]bis(methylene)]bis- (9CI) Specification
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
Related Products
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- Phosphonic acid, [[(1-methylethyl)imino]bis(methylene)]bis-, disodium salt (9CI)
- Phosphonic acid, [[(3,5,5-trimethylhexyl)imino]bis(methylene)]bis-, dipotassium salt (9CI)
- Phosphonic acid, [[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]methyl]-, diethyl ester
- Phosphonic acid, 2, 5-thiophenediylbis-, tetraethyl ester (9CI)
- Phosphonic acid, decyl phenyl ester
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