Basic information
- CAS
6338-67-6- Standard SMILES
C=C(C)CNCC(=C)C.Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl- InChIKey
VIVCKDRUZKLWDE-UHFFFAOYSA-N- Molecular formula
- C14H16Cl5NO
- Average molar mass
- 391.5 g/mol
- Monoisotopic mass
- 388.967453
Names & identifiers
- Preferred name
- 2-methyl-N-(2-methylprop-2-enyl)prop-2-en-1-amine;2,3,4,5,6-pentachlorophenol
- IUPAC
- 2-methyl-N-(2-methylprop-2-enyl)prop-2-en-1-amine;2,3,4,5,6-pentachlorophenol
- English name
- 2-methyl-N-(2-methylprop-2-enyl)prop-2-en-1-amine, 2,3,4,5,6-pentachlo rophenol
- Molecular formula
- C14H16Cl5NO
- Molecular weight
- 391.54794
Names & synonyms
NSC407876338-67-6NSC-40787CHEMBL1369208DTXSID40285172NCI40787CCG-36911NCGC00013475NCGC00013475-02NCGC00096590-01NCI60_003900Pentachlorophenol--2-methyl-N-(2-methylprop-2-en-1-yl)prop-2-en-1-amine (1/1)
Show more names
2-methyl-N-(2-methylprop-2-enyl)prop-2-en-1-amine, 2,3,4,5,6-pentachlo rophenol
2,3,4,5,6-pentachlorophenol compound with 2-methyl-N-(2-methyl-2-propenyl)-2-propen-1-amine (1:1)
Database identifiers
- CAS
6338-67-6- PubChem CID
- 237371
- DTXSID
DTXSID40285172- ChEMBL
CHEMBL1369208
Properties
Computed structural properties
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 250
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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