Basic information
- CAS
501-13-3- Standard SMILES
COc1cc(C=CC(=O)NCCCCN)ccc1O- InChIKey
SFUVCMKSYKHYLD-UHFFFAOYSA-N- Molecular formula
- C14H20N2O3
- Average molar mass
- 264.32 g/mol
- Monoisotopic mass
- 264.1473925
Overview
Subaphyllin has been reported in Remusatia vivipara, Solanum tuberosum, and other organisms with data available.
Names & identifiers
- Preferred name
- N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
- IUPAC
- N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
- English name
- Feruloylputrescine
- Molecular formula
- C14H20N2O3
- Molecular weight
- 264.32
Names & synonyms
N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamideRefChem:1091240N-(4-Aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)acrylamideSubaphyllinN-(E)-Feruloylputrescineorb1217967orb1298526SCHEMBL1675877SCHEMBL29986184RDA00011AKOS028110688NSC 602818
Show more names
SubaphyllineN-Feruloylputrescine(E)-N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamideFeruloylputrescineChlorotoluron Impurity 6Feruloylputrescine, 10 mM in DMSOFeruloylputrescine trifluoroacetate
DB-335083N-(4-Aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)propenamideN-(4-aminobutyl)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enamideSubaphylline; N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)acrylamide
Database identifiers
- CAS
501-13-3- PubChem CID
- 10384
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 84.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 294
Physicochemical properties
- Boiling point
- 512 ℃ · 512℃
- Density
- 1.156 · 1.156
- Flash point
- 263 ℃ · 263℃
- solubility
- Water
- form
- Solid
- pka
- 9.78 · 9.78±0.35(Predicted)
- color
- Yellowish
- InChI
- InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)
- InChIKey
- SFUVCMKSYKHYLD-UHFFFAOYSA-N
- SMILES
- C(NCCCCN)(=O)C=CC1=CC=C(O)C(OC)=C1
- LogP
- 0.62 · 0.620 (est)
- FDA UNII
- 3 HM10B75D · J3HM10B75D
Chemistry & industry
Applications
DescriptionSalsola subaphylla contains this alkaloid which is extremely hygroscopic and for which no definite melting point has been obtained. It gives crystalline salts and derivatives, e.g. the hydrochloride, melting over a very wide range of temperature; the hydriodide which behaves similarly to the hydrochloride, picrate, m.p. 218.5°C. On hydrogenation over Pt02 it yields the dihydro derivative giving a hydrochloride, m.p. 139-140oC and a picrate, m.p. 174.6-175°C. When boiled with 30 per cent KOH it forms putrescine and ferulic acid and has the probable structure given above.
UsesFeruloylputrescine is an effector of plant root systems, influencing development of nutrient gathering root systems. Inhibition of the formation of this compound causes the development of a dominant or ‘tap’ root.
Suppliers55 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海道鞅科技有限公司QQ:3150471267 13381681725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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