3-Methyl-4-nitroso-2-phenylmorpholine
Basic information
- CAS
34993-08-3- Standard SMILES
CC1C(c2ccccc2)OCCN1N=O- InChIKey
AUJFBAMBAVQREK-UHFFFAOYSA-N- Molecular formula
- C11H14N2O2
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.10552769
Names & identifiers
- Preferred name
- 3-Methyl-4-nitroso-2-phenylmorpholine
- IUPAC
- 3-methyl-4-nitroso-2-phenylmorpholine
- English name
- N-Nitrosophenmetrazine
- Molecular formula
- C11H14N2O2
- Molecular weight
- 206.24106
Names & synonyms
N-Nitrosophenmetrazine3-methyl-4-nitroso-2-phenylmorpholine34993-08-3Morpholine, 3-methyl-4-nitroso-2-phenyl-N-Nitroso-2-phenyl-3-methylmorpholine4-Nitroso-2-phenyl-3-methylmorpholineUNII-U8S25748J3NITROSOPHENMETRAZINEU8S25748J32-PHENYL-3-METHYLNITROSOMORPHOLINERefChem:94776NNitroso2phenyl3methylmorpholine
Show more names
3-Methyl-4-nitroso-2-phenylmorphorine
4Nitroso2phenyl3methylmorpholineMorpholine, 3methyl4nitroso2phenyl3-METHYL-4-NITROSO-2-PHENYLMORPHOLINE, (+-)-CHEMBL451546DTXSID30874216nitroso-3-methyl-2-phenylmorpholineDB-241122Q27290905
Database identifiers
- CAS
34993-08-3- PubChem CID
- 92297
- DTXSID
DTXSID30874216- ChEMBL
CHEMBL451546- UNII
- U8S25748J3
- EC Number
- 881-919-1
- Nikkaji
- J1.030H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 217
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitrosamines
LogP2.09
Vapor Pressure0.0000589 [mmHg]
Physicochemical properties
- FDA UNII
- 8 S25748J3 · U8S25748J3
- Symbol(GHS)
- 8 · GHS08,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H370-H361
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P201-P202-P281-P308+P313-P405-P501-P260-P264-P270-P307+P311-P321-P405-P501
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]
P203, P260, P264, P270, P280, P301+P316, P308+P316, P318, P321, P330, 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
Hazards SummarySee NITROSAMINES.
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS06
- Hazard statements
- H301-H370-H361
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P201-P202-P281-P308+P313-P405-P501-P260-P264-P270-P307+P311-P321-P405-P501
Chemistry & industry
Applications
UsesN-Nitrosophenmetrazine is an N-nitroso derivative of Phenmetrazine Hydrochloride(P314500), which is is an anorexic.Controlled substance (stimulant). N-Nitrosophenmetrazine can be used to study its carcinogenicity on liver specificity using quantitative structure-activity relationship (QSAR).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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