Melitracen Hydrochloride
Basic information
- CAS
10563-70-9- Standard SMILES
CN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc21.Cl- InChIKey
RADLXCPDUXFGFF-UHFFFAOYSA-N- Molecular formula
- C21H26ClN
- Average molar mass
- 327.9 g/mol
- Monoisotopic mass
- 327.1753775
Overview
Melitracen hydrochloride is a member of anthracenes.
Names & identifiers
- Preferred name
- Melitracen Hydrochloride
- IUPAC
- 3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride
- English name
- Melitracen hydrochloride
- Molecular formula
- C21H26ClN
- Molecular weight
- 327.89084
Names & synonyms
MELITRACEN HYDROCHLORIDE10563-70-9Melitracen HClThymeol hydrochlorideU-24973AU-24,973A9-(3-Dimethylaminopropylidene)-10,10-dimethyl-9,10-dihydroanthracene hydrochlorideDTXSID7046835EINECS 234-150-5Melitracen hydrochloride [USAN:JAN]NSC 78229NSC-78229
Show more names
AdaptolThymeolMelixeranTrausabunAdaptol-d6Thymeol-d6Melixeran-d6Trausabun-d6Melitracene-d6
J3448GKP5WU 24973A1-Propanamine, 3-(10,10-dimethyl-9(10H)-anthracenylidene)-N,N-dimethyl-, hydrochlorideU 24,973ADTXCID5026835MELITRACEN HYDROCHLORIDE [MI]MELITRACEN HYDROCHLORIDE [JAN]N,N,10,10-Tetramethyl-delta(sup 9(10H),gamma)-anthracenepropylamine hydrochloride
Database identifiers
- CAS
10563-70-9- PubChem CID
- 25381
- DTXSID
DTXSID7046835- ChEMBL
CHEMBL2107109- ChEBI
CHEBI:31815- UNII
- J3448GKP5W
- EC Number
- 234-150-5
Properties
Computed structural properties
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 378
Physicochemical properties
- Melting point
- 245 · 245-248°C
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Soluble in DMSO
- form
- Solid
- color
- White to Off-White
- Water Solubility
- 2 O: · H2O: 2mg/mL, clear (warmed)
- InChI
- InChI=1S/C21H25N.ClH/c1-21(2)19-13-7-5-10-17(19)16(12-9-15-22(3)4)18-11-6-8-14-20(18)21;/h5-8,10-14H,9,15H2,1-4H3;1H
- InChIKey
- RADLXCPDUXFGFF-UHFFFAOYSA-N
- SMILES
- C12C=CC=CC=1C(C1C=CC=CC=1/C/2=C\CCN(C)C)(C)C.Cl
- CAS DataBase Reference
- 10563 · 10563-70-9(CAS DataBase Reference)
- FDA UNII
- 3448 GKP5W · J3448GKP5W
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- WGK 3
- Toxicity
- LD50 i.v. in mice: 52 mg/kg (Petersen)
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesAntidepressant
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Melitracen hydrochloride is a member of anthracenes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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