Zucapsaicin

C₁₈H₂₇NO₃CAS 25775-90-0305.42 g/mol

Open in Covalent MOL file

Alkene Ether Phenol

Properties

Molecular formula: C₁₈H₂₇NO₃
Molar mass: 305.42 g/mol
Exact mass: 305.1991 Da
Melting point: 70 °C
logP: 4.63Crippen estimate
Polar surface area: 62.0 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 9

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction100% of notifiers
H318 Causes serious eye damage100% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501

Identifiers

CAS number

25775-90-0

SMILES

COc1cc(CN=C(O)CCCC/C=CC(C)C)ccc1O

InChIKey

YKPUWZUDDOIDPM-VURMDHGXSA-N

InChI

InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6-

Weigh it out

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

Names and synonyms

9 names

6-Nonenamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-, (6Z)-
6-Nonenamide, 8-methyl-N-vanillyl-, (Z)-
6-Nonenamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-, (Z)-
(6Z)-N-[(4-Hydroxy-3-methoxyphenyl)methyl]-8-methyl-6-nonenamide
cis-Capsaicin
Capsaicin, cis-
(Z)-8-Methyl-N-vanillyl-6-nonenamide
Civamide
(Z)-Capsaicin

Work with Zucapsaicin

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Capsaicin404-86-4Defined stereoisomer

Similar compounds

Dihydrocapsaicin19408-84-571 % similar Nordihydrocapsaicin28789-35-771 % similar Nonivamide2444-46-466 % similar (6)-Shogaol555-66-845 % similar [8]-Shogaol36700-45-544 % similar [10]-Shogaol36752-54-244 % similar Eugenol97-53-042 % similar Dihydroferulic acid1135-23-542 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook