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1-Propanamine,3,3,3-trifluoro- (460-39-9)

Identification
Name:1-Propanamine,3,3,3-trifluoro-
Synonyms:Propylamine,3,3,3-trifluoro- (7CI,8CI);3,3,3-Trifluoro-1-propanamine;3,3,3-Trifluoropropylamine;
CAS:460-39-9
Molecular Formula: C3H6F3N
Molecular Weight: 113.08
InChI: InChI=1/C3H6F3N/c4-3(5,6)1-2-7/h1-2,7H2
Molecular Structure: (C3H6F3N) Propylamine,3,3,3-trifluoro- (7CI,8CI);3,3,3-Trifluoro-1-propanamine;3,3,3-Trifluoropropylamine;
Properties
Flash Point: °C
Boiling Point: 30.6°Cat760mmHg
Density:1.152g/cm3
Refractive index:1.328
Specification:

The 3,3,3-Trifluoropropylamine with the cas number 460-39-9 is also called 1-Propanamine,3,3,3-trifluoro-. Both the systematic name and IUPAC name are 3,3,3-trifluoropropan-1-amine. Its molecular formula is C3H6F3N. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 0.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.03; (4)ACD/LogD (pH 7.4): -0.33; (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): 6.49; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.328; (14)Molar Refractivity: 19.93 cm3; (15)Molar Volume: 98.1 cm3; (16)Polarizability: 7.9×10-24cm3; (17)Surface Tension: 18.7 dyne/cm; (18)Enthalpy of Vaporization: 27.62 kJ/mol; (19)Vapour Pressure: 616 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)CCN
(2)InChI: InChI=1/C3H6F3N/c4-3(5,6)1-2-7/h1-2,7H2
(3)InChIKey: NGZVNONVXYLYQW-UHFFFAOYAB

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 600mg/m3 (600mg/m3) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 14(11), Pg. 59, 1970.
mouse LD50 oral 29mg/kg (29mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 116, 1982.

Flash Point: °C
Safety Data
Hazard Symbols C: Corrosive