chempirical

Dihydrocapsaicin

C18H29NO3CAS 19408-84-5307.43 g/mol

Open in Covalent MOL file
ONHOHO
EtherPhenol

Properties

Molecular formula
C18H29NO3
Molar mass
307.43 g/mol
Exact mass
307.2147 Da
Melting point
65.6–65.8 °C
logP
4.85Crippen estimate
Polar surface area
62.0 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
10

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
19408-84-5
SMILES
COc1cc(CN=C(O)CCCCCCC(C)C)ccc1O
InChIKey
XJQPQKLURWNAAH-UHFFFAOYSA-N
InChI
InChI=1S/C18H29NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h10-12,14,20H,4-9,13H2,1-3H3,(H,19,21)

Weigh it out

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

Names and synonyms

5 names
  • Nonanamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-
  • Nonanamide, 8-methyl-N-vanillyl-
  • N-[(4-Hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide
  • 6,7-Dihydrocapsaicin
  • Capsaicin, dihydro-

Work with Dihydrocapsaicin

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

Nordihydrocapsaicin28789-35-7100 % similar Nonivamide2444-46-475 % similar Zucapsaicin25775-90-071 % similar Capsaicin404-86-471 % similar Dihydroferulic acid1135-23-545 % similar Tetrahydrocurcumin36062-04-145 % similar Paradol27113-22-044 % similar Homovanillic acid306-08-144 % similar

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

Same formula

Betaxolol63659-18-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia