Basic information
- CAS
134865-74-0- Standard SMILES
CCC(=O)NC1Cc2ccccc2C(c2ccccc2)C1- InChIKey
RCYLUNPFECYGDW-UHFFFAOYSA-N- Molecular formula
- C19H21NO
- Average molar mass
- 279.4 g/mol
- Monoisotopic mass
- 279.16231429
Overview
N-(4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide is a member of tetralins.
Names & identifiers
- Preferred name
- 4P-Pdot
- IUPAC
- N-(4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
- English name
- 4-P-PDOT
- Molecular formula
- C19H21NO
- Molecular weight
- 279.38
Names & synonyms
4p-PDOTN-(4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide4-phenyl-2-propionamidotetralineRefChem:912849134865-74-0N-(4-Phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)propionamide4-phenyl-2-propionamidotetralinN-(4-phenyltetralin-2-yl)propanamideCHEMBL285718620170-78-7MFCD009015454P-PDOT?
Show more names
AH-0244-P-PDOT4-P-PDOT, 10 mM in DMSO4-P-PDOT, MT2 selective melatonin receptor antagonistPropanamide, N-(1,2,3,4-tetrahydro-4-phenyl-2-naphthalenyl)-4-P-PDOT4PPDOTAH-0244-PHENYL-2- PROPIONAMIDOTETRALIN.Melatonin,Melatonin Receptor,GSSG,Nrf2,GSH,4PPDOT,ERK,memory,damage,Inhibitor,oxidative,4 P PDOT,MT2,inhibit
SCHEMBL54783GTPL1358orb1940913SCHEMBL297595054-phenyl-2- propionamidotetralin4-phenyl-2-propionamido tetralinCHEBI:110160RCYLUNPFECYGDW-UHFFFAOYSA-N
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 347
Physicochemical properties
- Melting point
- 166 °C · 166 °C
- Boiling point
- 480.1 · 480.1±45.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- storage temp.
- room temp
- solubility
- 10 mM · Soluble in DMSO > 10 mM
- form
- powder
- pka
- 15.87 · 15.87±0.40(Predicted)
- color
- white to beige
- InChI
- 1S/C19H21NO/c1-2-19(21)20-16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,2,12-13H2,1H3,(H,20,21)
- InChIKey
- RCYLUNPFECYGDW-UHFFFAOYSA-N
- SMILES
- N(C1CC(c3c(cccc3)C1)c2ccccc2)C(=O)CC
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- rtecs
- TX1498350
- hs_code
- 2924.29.7790
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Uses4-P-PDOT is a MT2 melatonin receptor ligand.
Suppliers47 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [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]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海技毅生物科技有限公司13621943973 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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