Basic information
- CAS
4532-33-6- Standard SMILES
COc1cc(C)cc2c1[nH]c1ccccc12- InChIKey
HDETUOZJFUNSKG-UHFFFAOYSA-N- Molecular formula
- C14H13NO
- Average molar mass
- 211.26 g/mol
- Monoisotopic mass
- 211.09971404
Overview
Murrayafoline A is a member of carbazoles.
Names & identifiers
- Preferred name
- 1-methoxy-3-methyl-9H-carbazole
- IUPAC
- 1-methoxy-3-methyl-9H-carbazole
- English name
- 1-Methoxy-3-Methylcarbazole
- Molecular formula
- C14H13NO
- Molecular weight
- 211.26
Names & synonyms
1-Methoxy-3-methyl-9H-carbazole4532-33-6Murrayafoline ADTXSID90327415murrayafoline-ARefChem:160145DTXCID80278528112-419-71-methoxy-3-methylcarbazoleMFCD18452402Murrayafolin aSCHEMBL19127730
Show more names
Murrayafoline9H-Carbazole, 1-methoxy-3-methyl-
1-Methoxy-3-methyl-9H-carbazole #NSC654284AKOS016005765NSC-654284AC-29647SY042489CHEMBL490667orb1991857
Database identifiers
- CAS
4532-33-6- PubChem CID
- 375150
- DTXSID
DTXSID90327415- ChEMBL
CHEMBL490667- ChEBI
CHEBI:229176- EC Number
- 112-419-7
- Nikkaji
- J636.800J
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 25 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- water: slightly soluble
- form
- Solid
- color
- White to off-white
- biological source
- plant
- Water Solubility
- water: slightly soluble
- Major Application
- metabolomicsvitamins, nutraceuticals, and natural products
- InChI
- 1S/C14H13NO/c1-9-7-11-10-5-3-4-6-12(10)15-14(11)13(8-9)16-2/h3-8,15H,1-2H3
- InChIKey
- HDETUOZJFUNSKG-UHFFFAOYSA-N
- SMILES
- [nH]1c2c(c3c1cccc3)cc(cc2OC)C
- UNSPSC Code
- 12352205 · 12352205
- NACRES
- 25 · NA.25
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Warning
- Hazard statements
- 341 · H341-H351-H413
- Precautionary statements
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
H341 (100%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
P203, P273, P280, P318, 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 CategoriesMuta. 2 (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H341-H351-H413
- Hazard Classifications
- Aquatic Chronic 4Carc. 2Muta. 2
- Precautionary statements
- P201-P202-P273-P280-P308+P313-P405
Chemistry & industry
Applications
UsesMurrayafoline A is a natural product derived from plant source th at finds application in compound screening libraries, metabolomics, phytochemical, and pharmaceutical research.
Suppliers43 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
韶远科技（上海）有限公司4000665055 · [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]
赛纳斯特化学（欢迎点击联系）021-60343070
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
南通敏言生物医药科技有限公司0513-85921823 18662920231 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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