CAS No.42457-10-3,(S) 2-CYANOPIPERIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	42457-10-3
Name:	(S) 2-CYANOPIPERIDINE
Article Data:	3

Formula:	C₆H₁₀N₂
Molecular Weight:	110.159
Synonyms:	Pipecolonitrile(6CI,7CI);2-Piperidinecarbonitrile;
Density:	0.99 g/cm³
Boiling Point:	226.403 °C at 760 mmHg
Flash Point:	90.726 °C

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Specification

The IUPAC name of (S)-(S)-2-Cyanopiperidine is (2S)-Piperidine-2-carbonitrile. With the CAS registry number 42457-10-3, it is also named as 2-Cyano-piperidine hydrochloride. In addition, its molecular formula is C₆H₁₀N₂ and its molecular weight is 110.16.

The other characteristics of (S)-(S)-2-Cyanopiperidine can be summarized as: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 6.79; (6)H bond acceptors: 2; (7)H bond donors: 1; (8)Freely Rotating Bonds: 0; (9)Polar Surface Area: 27.03 Å²; (10)Index of Refraction: 1.475; (11)Molar Refractivity: 31.35 cm³; (12)Molar Volume: 111.2 cm³; (13)Polarizability: 12.42×10^-24cm³; (14)Surface Tension: 37.9 dyne/cm; (15)Density: 0.98 g/cm³; (16)Flash Point: 90.7 °C; (17)Enthalpy of Vaporization: 46.29 kJ/mol; (18)Boiling Point: 226.4 °C at 760 mmHg; (19)Vapour Pressure: 0.082 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: (S)-(S)-2-Cyanopiperidine is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:N#C[C@H]1NCCCC1
(2)InChI:InChI=1/C6H10N2/c7-5-6-3-1-2-4-8-6/h6,8H,1-4H2/t6-/m0/s1
(3)InChIKey:YAVXLTMRALFZIS-LURJTMIEBG
(4)Std. InChI:InChI=1S/C6H10N2/c7-5-6-3-1-2-4-8-6/h6,8H,1-4H2/t6-/m0/s1
(5)Std. InChIKey:YAVXLTMRALFZIS-LURJTMIESA-N