N,N-Bis(3-aminopropyl)dodecylamine

C₁₈H₄₁N₃CAS 2372-82-9299.55 g/mol

Open in Covalent MOL file

Primary amine Tertiary amine

Properties

Molecular formula: C₁₈H₄₁N₃
Molar mass: 299.55 g/mol
Exact mass: 299.3300 Da
Boiling point: 182–184 °C (at 1 Torr)
logP: 3.91Crippen estimate
Polar surface area: 55.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 17

Identifiers

CAS number

2372-82-9

SMILES

CCCCCCCCCCCCN(CCCN)CCCN

InChIKey

NYNKJVPRTLBJNQ-UHFFFAOYSA-N

InChI

InChI=1S/C18H41N3/c1-2-3-4-5-6-7-8-9-10-11-16-21(17-12-14-19)18-13-15-20/h2-20H2,1H3

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Names and synonyms

16 names · show all

1,3-Propanediamine, N1-(3-aminopropyl)-N1-dodecyl-
Dodecylamine, N,N-bis(3-aminopropyl)-
1,3-Propanediamine, N-(3-aminopropyl)-N-dodecyl-
N1-(3-Aminopropyl)-N1-dodecyl-1,3-propanediamine
RC 5637
N,N-Bis(3-aminopropyl)laurylamine
Lonzabac 12
Lonzabac 1230
Triameen Y 12
Lonzabac 12.100
Triameen Y 12D
Triamine Y 12D
Mistral
Lonzabac 12.30
Grotan BA 21
Bis(3-aminopropyl)dodecylamine

Work with N,N-Bis(3-aminopropyl)dodecylamine

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

N1,N1-Dibutyl-1,3-propanediamine102-83-082 % similar Trihexylamine102-86-371 % similar Tridodecylamine102-87-471 % similar Trioctylamine1116-76-371 % similar Triheptylamine2411-36-171 % similar 1-Piperidinepropanamine3529-08-671 % similar 1-Pyrrolidinepropanamine23159-07-167 % similar N1,N1-Dibutyl-1,2-ethanediamine3529-09-767 % similar

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

Elsewhere

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