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| CAS No.: | 73630-93-0 |
|---|---|
| Name: | 1-BROMO-N N,2-TRIMETHYLPROPENYLAMINE |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C6H12BrN |
| Molecular Weight: | 178.072 |
| Synonyms: | 1-Bromo-N,N,2-trimethylpropenylamine,98%; |
| Density: | 1.26g/cm3 |
| Boiling Point: | 181.1°Cat760mmHg |
| Flash Point: | 63.3°C |
| PSA: | 3.24000 |
| LogP: | 2.19430 |
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Specification
The 1-Bromo-N,N,2-trimethylpropenylamine with cas registry number of 73630-93-0, has the systematic name of 1-bromo-N,N,2-trimethylprop-1-en-1-amine. And it is also named 1-Bromo-N,N,2-trimethylpropenylamine,98%. It is a kind of turbid yellow fuming liquid.
Physical properties about this chemical are: (1)ACD/LogP: 2.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.36; (4)ACD/LogD (pH 7.4): 2.38; (5)ACD/BCF (pH 5.5): 36.02; (6)ACD/BCF (pH 7.4): 38.08; (7)ACD/KOC (pH 5.5): 445.52; (8)ACD/KOC (pH 7.4): 470.96; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.492; (14)Molar Refractivity: 41.04 cm3; (15)Molar Volume: 141.2 cm3; (16)Polarizability: 16.2×10-24cm3; (17)Surface Tension: 29.1 dyne/cm; (18)Enthalpy of Vaporization: 41.73 kJ/mol; (19)Vapour Pressure: 0.868 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Br/C(=C(/C)C)N(C)C;
(2)InChI: InChI=1/C6H12BrN/c1-5(2)6(7)8(3)4/h1-4H3;
(3)InChIKey: RABYYIXYBKFZPT-UHFFFAOYAP;
(4)Std. InChI: InChI=1S/C6H12BrN/c1-5(2)6(7)8(3)4/h1-4H3;
(5)Std. InChIKey: RABYYIXYBKFZPT-UHFFFAOYSA-N