Molecule structure of Aminophon (CAS NO.51249-05-9):
IUPAC Name: N-Butyl-1-dibutoxyphosphorylcyclohexan-1-amine
Molecular Weight: 347.472981 g/mol
Molecular Formula: C18H38NO3P
Density: 0.98 g/cm3
Boiling Point: 434.8 °C at 760 mmHg
Flash Point: 216.8 °C
Index of Refraction: 1.464
Molar Refractivity: 97.23 cm3
Molar Volume: 352.1 cm3
Polarizability: 38.54×10-24 cm3
Surface Tension: 35.2 dyne/cm
Enthalpy of Vaporization: 69.1 kJ/mol
Vapour Pressure: 9.19E-08 mmHg at 25 °C
XLogP3-AA: 4.5
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 13
Exact Mass: 347.258931
MonoIsotopic Mass: 347.258931
Topological Polar Surface Area: 47.6
Heavy Atom Count: 23
Complexity: 329
Canonical SMILES: CCCCNC1(CCCCC1)P(=O)(OCCCC)OCCCC
InChI: InChI=1S/C18H38NO3P/c1-4-7-15-19-18(13-11-10-12-14-18)23(20,21-16-8-5-2)22-17-9-6-3/h19H,4-17H2,1-3H3
InChIKey: NMBXMBCZBXUXAM-UHFFFAOYSA-N
1. | orl-rat LD50:3000 mg/kg | EQSFAP Environmental Quality and Safety. 3 (1975),686. | ||
2. | skn-rat LD50:1200 mg/kg | EQSFAP Environmental Quality and Safety. 3 (1975),686. | ||
3. | ipr-rat LD50:1385 mg/kg | EQSFAP Environmental Quality and Safety. 3 (1975),686. | ||
4. | orl-mus LD50:3475 mg/kg | EQSFAP Environmental Quality and Safety. 3 (1975),686. | ||
5. | skn-rbt LD50:500 mg/kg | EQSFAP Environmental Quality and Safety. 3 (1975),686. | ||
6. | orl-ham LD50:10,000 mg/kg | EQSFAP Environmental Quality and Safety. 3 (1975),686. |
Safety Statements: 23-24/25
S23:Do not breathe vapour.
S24/25:Avoid contact with skin and eyes.
RTECS: SZ6900000
Moderately toxic by several routes. When heated to decomposition it emits very toxic fumes of POx and NOx.
Aminophon (CAS NO.51249-05-9) is also named as 1-(Butylamino)cyclohexylphosphonic acid dibutyl ester ; Buminafos ; CKB 1028A ; O,O-Dibutyl 1-butylamino-cyclohexylphosphonate ; Trakephon ; Dibutyl (1-(butylamino)cyclohexyl)phosphonate ; Phosphonic acid, 1-(butylamino)cyclohexyl-, dibutyl ester . Aminophon (CAS NO.51249-05-9) is highly toxic. It is flammable. It will produce toxic nitrogen oxide and phosphorus oxide fumes when buring. So the storage environment should be ventilate, low-temperature and dry.
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