CAS No.158407-04-6,4-BROMOMETHYL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	158407-04-6
Name:	4-BROMOMETHYL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Article Data:	22

Formula:	C₁₁H₂₀BrNO₂
Molecular Weight:	278.189
Synonyms:	4-Bromomethyl-1-(tert-butoxycarbonyl)piperidine;4-Bromomethylpiperidine-1-carboxylic acid tert-butyl ester;[1-[tert-Butoxycarbonyl]-4-piperidinyl]methyl bromide;
Density:	1.271 g/cm³
Boiling Point:	318.337 °C at 760 mmHg
Flash Point:	146.325 °C
Hazard Symbols:	R36/37/38:;
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	29.54000
LogP:	2.96630

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Specification

The Systematic name about this chemical is tert-butyl 4-(bromomethyl)piperidine-1-carboxylate. The cas register number of tert-Butyl 4-(bromomethyl)piperidine-1-carboxylate is 158407-04-6. It also can be called as 1-Piperidinecarboxylic acid, 4-(bromomethyl)-, 1,1-dimethylethyl ester.

Physical properties about tert-Butyl 4-(bromomethyl)piperidine-1-carboxylate are: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 60; (6)ACD/BCF (pH 7.4): 60; (7)ACD/KOC (pH 5.5): 655; (8)ACD/KOC (pH 7.4): 655; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54Å²; (13)Index of Refraction: 1.495; (14)Molar Refractivity: 63.866 cm³; (15)Molar Volume: 218.944 cm³; (16)Surface Tension: 36.996 dyne/cm; (17)Density: 1.271 g/cm³; (18)Flash Point: 146.325 °C; (19)Enthalpy of Vaporization: 55.983 kJ/mol; (20)Boiling Point: 318.337 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. People must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1.SMILES: CC(C)(C)OC(=O)N1CCC(CC1)CBr
2.InChI: InChI=1/C11H20BrNO2/c1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13/h9H,4-8H2,1-3H3
3.InChIKey: YGJXBTRLYHCWGD-UHFFFAOYAF
4.Std. InChI: InChI=1S/C11H20BrNO2/c1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13/h9H,4-8H2,1-3H3