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Piperidine, 2-methyl-,(2S)- (3197-42-0)

Identification
Name:Piperidine, 2-methyl-,(2S)-
Synonyms:2-Pipecoline,(S)-(+)- (8CI);Piperidine, 2-methyl-, (S)-;(+)-2-Methylpiperidine;(2S)-2-Methylpiperidine;(S)-(+)-2-Methylpiperidine;(S)-2-Methylpiperidine;
CAS:3197-42-0
Molecular Formula: C6H13N
Molecular Weight: 99.17
InChI: InChI=1/C6H13N/c1-6-4-2-3-5-7-6/h6-7H,2-5H2,1H3/t6-/m0/s1
Molecular Structure: (C6H13N) 2-Pipecoline,(S)-(+)- (8CI);Piperidine, 2-methyl-, (S)-;(+)-2-Methylpiperidine;(2S)-2-Methylpiperidi...
Properties
Transport:UN 1993 3/PG 2
Flash Point: 8.3°C
Boiling Point: 118.8°Cat760mmHg
Density:0.809g/cm3
Refractive index:n20/D 1.446(lit.)
Specification:

The (S)-(+)-2-Methylpiperidine with the CAS number 3197-42-0 is also called Piperidine, 2-methyl-,(2S)-. The systematic name is (2S)-2-methylpiperidine. Its molecular formula is C6H13N. This chemical belongs to the following product categories: (1)API intermediates; (2)Piperidines; (3)Chiral Compound; (4)Chiral Building Blocks; (5)Heterocyclic Building Blocks.

The properties of the (S)-(+)-2-Methylpiperidine are: (1)ACD/LogP: 1.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.67; (4)ACD/LogD (pH 7.4): -1.61; (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): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 3.24Å2; (13)Index of Refraction: 1.421; (14)Molar Refractivity: 31.11 cm3; (15)Molar Volume: 122.4 cm3; (16)Polarizability: 12.33×10-24cm3; (17)Surface Tension: 24.4 dyne/cm; (18)Enthalpy of Vaporization: 35.7 kJ/mol; (19)Vapour Pressure: 16.4 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is highly flammable. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Finally you should keep this chemcial away from sources of ignition.

You can still convert the following datas into molecular structure:
(1)SMILES: N1[C@@H](C)CCCC1
(2)InChI: InChI=1/C6H13N/c1-6-4-2-3-5-7-6/h6-7H,2-5H2,1H3/t6-/m0/s1
(3)InChIKey: NNWUEBIEOFQMSS-LURJTMIEBW

Flash Point: 8.3°C
Safety Data
Hazard Symbols F: Flammable Xi: Irritant