Mls001211906
Basic information
- CAS
28742-49-6- Standard SMILES
Cc1ccc2c(c1)c1c3n2CCN(C(=O)CCl)C3CCC1- InChIKey
GFAMGQKPRPMKPF-UHFFFAOYSA-N- Molecular formula
- C17H19ClN2O
- Average molar mass
- 302.8 g/mol
- Monoisotopic mass
- 302.1185909
Names & identifiers
- Preferred name
- Mls001211906
- IUPAC
- 2-chloro-1-(12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)ethanone
- English name
- 2-CHLORO-1-(8-METHYL-1,2,3A,4,5,6-HEXAHYDRO-PYRAZINO[3,2,1-JK]CARBAZOL-3-YL)-ETHANONE
- Molecular formula
- C17H19ClN2O
- Molecular weight
- 302.8
Names & synonyms
28742-49-6MLS001211906DTXSID20389607RefChem:357133DTXCID503404682-Chloro-1-(8-methyl-1,2,3a,4,5,6-hexahydro-pyrazino[3,2,1-jk]carbazol-3-yl)-ethanone2-Chloro-1-(8-methyl-3a,4,5,6-tetrahydro-1H-pyrazino[3,2,1-jk]carbazol-3(2H)-yl)ethanone2-Chloro-1-(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)ethan-1-one2-chloro-1-(12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)ethanoneSMR000516551SR-01000317974CHEMBL1349646
Show more names
3-chloroacetyl-8-methyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole2-Chloro-1-(8-methyl-1,2,3a,4,5,6-hexahydro-pyrazino[3,2,1-jk]carbazol-3-yl)-ethaEthanone, 2-chloro-1-(1,2,3a,4,5,6-hexahydro-8-methyl-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-
BDBM61119cid_3129074REGID_for_CID_3129074SBB027732STK735182AKOS000301099AKOS024305098ST4081884
Database identifiers
- CAS
28742-49-6- PubChem CID
- 3129074
- DTXSID
DTXSID20389607- ChEMBL
CHEMBL1349646
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 25.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 429
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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