Basic information
- CAS
17608-59-2- Standard SMILES
CC(C(O)c1ccccc1)N(C)N=O- InChIKey
ZVTOLKAVCZXHFM-UHFFFAOYSA-N- Molecular formula
- C10H14N2O2
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.10552769
Names & identifiers
- Preferred name
- alpha-(1-(Methylnitrosoamino)ethyl)benzenemethanol
- IUPAC
- N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylnitrous amide
- English name
- N-nitrosoephedrine
- Molecular formula
- C10H14N2O2
- Molecular weight
- 194.23
Names & synonyms
N-Nitrosoephedrine17608-59-2N-nitrosopseudoephedrineDTXSID1021035RefChem:830850DTXCID001035alpha-(1-(Methylnitrosoamino)ethyl)benzenemethanol2-[methyl(nitroso)amino]-1-phenylpropan-1-olN-(1-hydroxy-1-phenylpropan-2-yl)-N-methylnitrous amide1850-88-02-[Methyl(nitroso)amino]-1-phenyl-1-propanol2-(N-Methyl-N-nitrosoamino)-1-phenyl-1-propanol
Show more names
NITROSOEPHEDRINEN-Nitroso rac-EphedrineN-Nitroso-α-pseudoephedrinZVTOLKAVCZXHFM-UHFFFAOYSA-Nα-[1-(Methylnitrosoamino)ethyl]benzenemethanolBenzenemethanol, α-[1-(methylnitrosoamino)ethyl]-α-[1-(N-Methyl-N-nitrosoamino)ethyl]benzyl alcohol
1-Propanol, 2-(N-methyl-N-nitrosoamino)-1-phenyl-alpha-(1-(N-Methyl-N-nitrosoamino)ethyl)benzyl alcoholEphedrine Impurity N1CHEMBL424344alpha-(1-(Methylnitrosamino)ethyl)benzyl alcohol stereoisomerN-(1-hydroxy-1-phenyl-propan-2-yl)-N-methyl-nitrous amideBenzyl alcohol, alpha-(1-(methylnitrosamino)ethyl)-, stereoisomerBENZYL ALCOHOL, alpha-(1-(N-METHYL-N-NITROSOAMINO)ETHYL)-
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Melting point
- 89.7 °C · 89.7 °C
- Boiling point
- 330.68 °C · 330.68°C (rough estimate)
- Density
- 1.1444 · 1.1444 (rough estimate)
- refractive index
- 1.5 · 1.5000 (estimate)
- storage temp.
- 4 °C, · 4°C, Inert atmosphere
- solubility
- Chloroform (Slightly), Dichloromethane (Slightly)
- form
- Oil
- pka
- 13.44 · 13.44±0.20(Predicted)
- color
- Pale Yellow
- Toxicity
- 50 mg/plate · mma-sat 50 mg/plate CALEDQ 21,63,83
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Toxicity
- mma-sat 50 mg/plate CALEDQ 21,63,83
Chemistry & industry
Applications
UsesN-Nitrosoephedrine is an N-nitroso derivative of (1R,2S)-(-)-Ephedrine(E574995), which is a sympathomimetic amine commonly used to treat hypotension associated with anaesthesia. It is similar in molecular structure to the well-known drugs phenylpropanolamine. N-Nitrosoephedrine can be used for in-vivo formation of mutagenic N-nitroso compounds.
Suppliers7 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
淄博百极荣创医药科技有限公司0533-6092686 13371592196 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 18012923235 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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