Basic information
- CAS
3785-24-8- Standard SMILES
CC(=O)c1c(C)cc2cccc(O)c2c1O- InChIKey
DMLHPCALHMPJHS-UHFFFAOYSA-N- Molecular formula
- C13H12O3
- Average molar mass
- 216.23 g/mol
- Monoisotopic mass
- 216.07864424
Overview
Nepodin is a member of naphthols.
Names & identifiers
- Preferred name
- Nepodin
- IUPAC
- 1-(1,8-dihydroxy-3-methylnaphthalen-2-yl)ethanone
- English name
- 1-(1,8-dihydroxy-3-methyl-naphthalen-2-yl)ethanone
- Molecular formula
- C13H12O3
- Molecular weight
- 216.23
Names & synonyms
Nepodin3785-24-8Musizindianellidin1-(1,8-dihydroxy-3-methylnaphthalen-2-yl)ethanoneXST9SRR6X4MUSIZINENSC-3657951-(1,8-Dihydroxy-3-methyl-2-naphthalenyl)ethanoneRefChem:165482Ethanone, 1-(1,8-dihydroxy-3-methyl-2-naphthalenyl)-1-(1,8-Dihydroxy-3-methyl-naphthalen-2-yl)-ethanone
Show more names
NSC 365795NEPODIN (MUSIZIN)Nepodin, 10 mM in DMSO2-Acetyl-3-methyl-1,8-naphthalenediolEthanone,1-(1,8-dihydroxy-3-methyl-2-naphthalenyl)-1-(1,8-dihydroxy-3-methyl-naphthalen-2-yl)ethanone USP/EP/BPInhibitor,AMP-activated protein kinase,Musizin,Parasite,AMPK,Nepodin,inhibit
AC1L2PGU2-Acetyl-1,8-dihydroxy-3-methylnaphthaleneMFCD002385791-(1,8-dihydroxy-3-methyl-naphthalen-2-yl)ethanone1-(1,8-dihydroxy-3-methylnaphthalen-2-yl)ethan-1-oneUNII-XST9SRR6X4CHEBI:75201-(1,8-dihydroxy-3-methyl-2-naphthyl)ethanone
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 276
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 165 · 165-166℃ (methanol )
- Boiling point
- 357.9 · 357.9±22.0 °C(Predicted)
- Density
- 1.285 · 1.285±0.06 g/cm3 (20 ºC 760 Torr)
- storage temp.
- 4 °C, · 4°C, protect from light
- solubility
- Methanol: soluble
- form
- A solid
- pka
- 5.13 · 5.13±0.50(Predicted)
- color
- White to yellow
- InChI
- InChI=1S/C13H12O3/c1-7-6-9-4-3-5-10(15)12(9)13(16)11(7)8(2)14/h3-6,15-16H,1-2H3
- InChIKey
- DMLHPCALHMPJHS-UHFFFAOYSA-N
- SMILES
- C(=O)(C1=C(C)C=C2C(=C1O)C(O)=CC=C2)C
- FDA UNII
- 9 SRR6X4 · XST9SRR6X4
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P330-P302+P352-P321-P304+P340-P305+P351+P338-P332+P313-P362+P364-P337+P313-P403+P233-P405-P501
Chemistry & industry
Applications
Uses1-(1,8-Dihydroxy-3-methyl-naphthalen-2-yl)-ethanone is a naphthalene for proteomics research.
Suppliers89 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
湖北丹鼎医药科技有限公司18917019315（微信同号） 17701422019 · [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]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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