1,12-Dodecanediamine

C₁₂H₂₈N₂CAS 2783-17-7200.37 g/mol

Open in Covalent MOL file

Primary amine

Properties

Molecular formula: C₁₂H₂₈N₂
Molar mass: 200.37 g/mol
Exact mass: 200.2252 Da
Melting point: 66–67 °C
Boiling point: 187 °C
logP: 2.80Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 11

Hazards

Danger

H302 Harmful if swallowed92.9% of notifiers
H314 Causes severe skin burns and eye damage82.1% of notifiers
H315 Causes skin irritation10.7% of notifiers
H317 May cause an allergic skin reaction73.2% of notifiers
H318 Causes serious eye damage12.5% of notifiers
H331 Toxic if inhaled12.5% of notifiers
H400 Very toxic to aquatic life10.7% of notifiers

Aggregated from 56 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P332+P317, P333+P317, P362+P364, P363, P391, P403+P233, P405, P501

Identifiers

CAS number

2783-17-7

SMILES

NCCCCCCCCCCCCN

InChIKey

QFTYSVGGYOXFRQ-UHFFFAOYSA-N

InChI

InChI=1S/C12H28N2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-14H2

Weigh it out

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

Names and synonyms

8 names

1,12-Dodecamethylenediamine
1,12-Diaminododecane
Dodecamethylenediamine
1,12-Dodecylenediamine
1,12-n-Dodecanediamine
1,12-Diamino-n-dodecane
NSC 55050
NSC 59861

Work with 1,12-Dodecanediamine

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Hexamethylenediamine124-09-4100 % similar Octamethylenediamine373-44-4100 % similar Cadaverine462-94-2100 % similar 1,7-Heptanediamine646-19-5100 % similar 1,9-Nonanediamine646-24-2100 % similar 1,10-Decanediamine646-25-3100 % similar Putrescine110-60-189 % similar 1,5-Diaminopentane dihydrochloride1476-39-775 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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