N-Dodecyl-1,3-propanediamine

C₁₅H₃₄N₂CAS 5538-95-4242.45 g/mol

Open in Covalent MOL file

Primary amine Secondary amine

Properties

Molecular formula: C₁₅H₃₄N₂
Molar mass: 242.45 g/mol
Exact mass: 242.2722 Da
Melting point: 24.5–25.5 °C
Boiling point: 137–141 °C (at 1 Torr)
logP: 3.85Crippen estimate
Polar surface area: 38.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 14

Hazards

Danger

H301 Toxic if swallowed19.4% of notifiers
H302 Harmful if swallowed79.1% of notifiers
H314 Causes severe skin burns and eye damage98.5% of notifiers
H318 Causes serious eye damage74.6% of notifiers
H372 Causes damage to organs through prolonged or repeated exposure19.4% of notifiers
H400 Very toxic to aquatic life98.5% of notifiers
H410 Very toxic to aquatic life with long lasting effects19.4% of notifiers

Aggregated from 67 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P391, P405, P501

Identifiers

CAS number

5538-95-4

SMILES

CCCCCCCCCCCCNCCCN

InChIKey

XMMDVXFQGOEOKH-UHFFFAOYSA-N

InChI

InChI=1S/C15H34N2/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16/h17H,2-16H2,1H3

Weigh it out

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

Names and synonyms

22 names · show all

1,3-Propanediamine, N1-dodecyl-
1,3-Propanediamine, N-dodecyl-
N1-Dodecyl-1,3-propanediamine
RC 5635
N-Lauryltrimethylenediamine
N-Dodecyl-1,3-trimethylenediamine
N-Dodecyltrimethylenediamine
N-(3-Aminopropyl)dodecylamine
Diam 21
Laurylaminopropylamine
3-(Dodecylamino)-1-propanamine
Dicrodamine 1.12
3-(Dodecylamino)propylamine
N-Lauryl-1,3-diaminopropane
N-Dodecyl-1,3-diaminopropane
3-(Laurylamino)propylamine
Genamin LAP 100D
Genamin LAP 100
NSC 28753
NSC 40165
N-Dodecyl-1,3-propylenediamine
Lauraminopropylamine

Work with N-Dodecyl-1,3-propanediamine

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-Oleyl-1,3-propanediamine7173-62-878 % similar Dioctylamine1120-48-571 % similar Didecylamine1120-49-671 % similar Dihexylamine143-16-871 % similar Ditetradecylamine17361-44-371 % similar Diheptylamine2470-68-071 % similar Didodecylamine3007-31-671 % similar N1-Butyl-1,2-ethanediamine19522-69-167 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook