Dipicolylamine

C₁₂H₁₃N₃CAS 1539-42-0199.26 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₁₂H₁₃N₃
Molar mass: 199.26 g/mol
Exact mass: 199.1109 Da
Boiling point: 150–152 °C (at 0.27 Torr)
logP: 1.77Crippen estimate
Polar surface area: 37.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Hazards

Danger

H301 Toxic if swallowed29% of notifiers
H310 Fatal in contact with skin29% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation98.4% of notifiers

Aggregated from 62 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1539-42-0

SMILES

c1ccc(CNCc2ccccn2)nc1

InChIKey

KXZQYLBVMZGIKC-UHFFFAOYSA-N

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

16 names · show all

2-Pyridinemethanamine, N-(2-pyridinylmethyl)-
Pyridine, 2,2′-(iminodimethylene)di-
N-(2-Pyridinylmethyl)-2-pyridinemethanamine
Bis(2-pyridylmethyl)amine
2,2′-Dipicolylamine
Bis(2-picolyl)amine
Di-2-picolylamine
N,N-Bis(2-pyridylmethyl)amine
Di(2-pyridylmethyl)amine
Bis(2-pyridinylmethyl)amine
N,N-Di-2-picolylamine
N,N′-Bis(2-pyridylmethyl)amine
NSC 176070
N,N-Bis(pyridin-2-ylmethyl)amine
2,2′-Bis(pyridylmethyl)amine
1-Pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine

Work with Dipicolylamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-Phenyl-2-pyridinemethanamine4329-81-163 % similar 2-Ethylpyridine100-71-054 % similar 2-Pyridinemethanethiol2044-73-754 % similar 2-Picolylamine3731-51-954 % similar 2-Chloromethylpyridine4377-33-754 % similar 2-Pyridinemethanol586-98-154 % similar 2-(Phenylmethyl)pyridine101-82-652 % similar 1-Pyridin-2-ylmethyl-piperazine55579-01-652 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,4-Diaminodiphenylamine136-17-4 3,3′-(Phenylimino)bis[propanenitrile]1555-66-4 3-Cyclopropyl-1-phenyl-1H-pyrazol-5-amine175137-45-8 Pyrimethanil53112-28-0

Elsewhere

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