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2,2'-Dipicolylamine

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Name

2,2'-Dipicolylamine

EINECS 216-266-8
CAS No. 1539-42-0 Density 1.118 g/cm3
Solubility Melting Point
Formula C12H13N3 Boiling Point 322.159 °C at 760 mmHg
Molecular Weight 199.25 Flash Point 148.637 °C
Transport Information Appearance
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1539-42-0 (2-Pyridinemethanamine,N-(2-pyridinylmethyl)-) Hazard Symbols IrritantXi
Synonyms

Di(2-pyridylmethyl)amine;Di-2-picolylamine;N,N-Bis(2-pyridylmethyl)amine;N,N-Bis[(pyridin-2-yl)methyl]amine;N,N-Di-2-picolylamine;NSC 176070;Pyridine,2,2'-(iminodimethylene)di- (7CI,8CI);Bis(2-picolyl)amine;Bis(2-pyridinylmethyl)amine;Bis(2-pyridylmethyl)amine;1-(Pyridin-2-yl)-N-(pyridin-2-ylmethyl)methanamine;1-Pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;

 

Specification

The 2-Pyridinemethanamine,N-(2-pyridinylmethyl)-, with the CAS registry number 1539-42-0, is also known as Bis(2-pyridinylmethyl)amine. It belongs to the product categories of Heterocyclic Compounds; Heterocyclic Building Blocks; Pyridines. Its EINECS number is 216-266-8. This chemical's molecular formula is C12H13N3 and molecular weight is 298.34. What's more, its systematic name is 1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine. It should be sealed and stored in a cool and dry place. What's more, it should be ensured that the workshop is well ventilated or equipped with exhaust devices.

Physical properties of 2-Pyridinemethanamine,N-(2-pyridinylmethyl)- are: (1)ACD/LogP: 0.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.01; (4)ACD/LogD (pH 7.4): 0.43; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.24; (7)ACD/KOC (pH 5.5): 14.79; (8)ACD/KOC (pH 7.4): 40.28; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.02 Å2; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 60.06 cm3; (15)Molar Volume: 178.2 cm3; (16)Polarizability: 23.81×10-24cm3; (17)Surface Tension: 49.3 dyne/cm; (18)Density: 1.118 g/cm3; (19)Flash Point: 148.6 °C; (20)Enthalpy of Vaporization: 56.4 kJ/mol; (21)Boiling Point: 322.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000284 mmHg at 25°C.

Preparation of 2-Pyridinemethanamine,N-(2-pyridinylmethyl)-: this chemical can be prepared by N-Tosyl-bis(2-pyridylmethyl)amin at the temperature of 100 °C. This reaction will need reagent conc. H2SO4 with the reaction time of 2 hours. The yield is about 94%.

2-Pyridinemethanamine,N-(2-pyridinylmethyl)- can be prepared by N-Tosyl-bis(2-pyridylmethyl)amin at the temperature of 100 °C

Uses of 2-Pyridinemethanamine,N-(2-pyridinylmethyl)-: it can be used to produce 3-(bis-pyridin-2-ylmethyl-amino)-propionic acid at the temperature of 80 °C. It will need reagent triethylamine and solvent ethanol with the reaction time of 18 hours. The yield is about 43%.

2-Pyridinemethanamine,N-(2-pyridinylmethyl)- can be used to produce 3-(bis-pyridin-2-ylmethyl-amino)-propionic acid at the temperature of 80 °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, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=NC(=C1)CNCC2=CC=CC=N2
(2)InChI: InChI=1S/C12H13N3/c1-3-7-14-11(5-1)9-13-10-12-6-2-4-8-15-12/h1-8,13H,9-10H2
(3)InChIKey: KXZQYLBVMZGIKC-UHFFFAOYSA-N

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