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| CAS No.: | 69719-84-2 |
|---|---|
| Name: | 4-Bromomethyl-piperidine |
| Molecular Structure: | |
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| Formula: | C6H12 Br N |
| Molecular Weight: | 178.072 |
| Synonyms: | 4-Bromomethylpiperidine; |
| Density: | 1.302 |
| Boiling Point: | 210℃ |
| Flash Point: | 81℃ |
| PSA: | 12.03000 |
| LogP: | 1.70970 |
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- Total:24 Page 1 of 1 1
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Specification
The 4-(Bromomethyl)piperidine,with the CAS registry number 69719-84-2.It belongs to the product categories of Heterocycles.This chemical's molecular formula is C6H12BrN and molecular weight is 178.07.
Physical properties about 4-(Bromomethyl)piperidine are:(1)ACD/LogP: 1.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.56; (4)ACD/LogD (pH 7.4): -1.13; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.479; (13)Molar Refractivity: 38.832 cm3; (14)Molar Volume: 136.734 cm3; (15)Surface Tension: 33.7210006713867 dyne/cm; (16)Density: 1.302 g/cm3; (17)Flash Point: 80.522 °C; (18)Enthalpy of Vaporization: 44.58 kJ/mol; (19)Boiling Point: 209.532 °C at 760 mmHg; (20)Vapour Pressure: 0.202000007033348 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:BrCC1CCNCC1;
(2)InChI:InChI=1S/C6H12BrN/c7-5-6-1-3-8-4-2-6/h6,8H,1-5H2;
(3)InChIKey:UHEVNPHRPRHQGH-UHFFFAOYSA-N.