chempirical

(Anilinomethyl)triethoxysilane

C13H23NO3SiCAS 3473-76-5269.42 g/mol

Open in Covalent MOL file
OSiHNOO
Secondary amineSilyl ether

Properties

Molecular formula
C13H23NO3Si
Molar mass
269.42 g/mol
Exact mass
269.1447 Da
Density
1.004 g/mL (at 25 °C)
Boiling point
135–137 °C (at 4 Torr)
logP
2.69Crippen estimate
Polar surface area
39.7 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
9

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
3473-76-5
SMILES
CCO[Si](CNc1ccccc1)(OCC)OCC
InChIKey
KOVKEDGZABFDPF-UHFFFAOYSA-N
InChI
InChI=1S/C13H23NO3Si/c1-4-15-18(16-5-2,17-6-3)12-14-13-10-8-7-9-11-13/h7-11,14H,4-6,12H2,1-3H3

Weigh it out

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

Names and synonyms

11 names
  • Benzenamine, N-[(triethoxysilyl)methyl]-
  • Aniline, N-[(triethoxysilyl)methyl]-
  • N-[(Triethoxysilyl)methyl]benzenamine
  • [(Phenylamino)methyl]triethoxysilane
  • ND 42
  • KH 42
  • KH 42 (coupling agent)
  • Sj 42
  • KH-ND 42
  • SiSiB PC 1711
  • Aniline methyltriethoxysilane

Work with (Anilinomethyl)triethoxysilane

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-[(Trimethoxysilyl)methyl]benzenamine77855-73-361 % similar Benzyltriethoxysilane2549-99-758 % similar N-Phenylglycine ethyl ester2216-92-449 % similar N-((Dimethoxy(methyl)silyl)methyl)aniline17890-10-749 % similar 1,1′,1′′-(Ethoxysilylidyne)tris[benzene]1516-80-947 % similar Diphenyldiethoxysilane2553-19-747 % similar Phenyltriethoxysilane780-69-847 % similar N-Ethylaniline103-69-547 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook