Basic information
- CAS
26921-68-6- Standard SMILES
CN(CCO)N=O- InChIKey
GFOKXZBYAVRDMO-UHFFFAOYSA-N- Molecular formula
- C3H8N2O2
- Average molar mass
- 104.11 g/mol
- Monoisotopic mass
- 104.0585775
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2-(Methylnitrosoamino)ethanol
- IUPAC
- N-(2-hydroxyethyl)-N-methylnitrous amide
- English name
- N-nitrosomethyl-(2-hydroxyethyl)amine
- Molecular formula
- C3H8N2O2
- Molecular weight
- 104.11
Names & synonyms
26921-68-62-(Methylnitrosoamino)ethanolETHANOL, 2-(METHYLNITROSOAMINO)-N-Nitrosomethyl-(2-hydroxyethyl)amineNSC-124414U47SPA78BMN-Methyl-N-nitrosoethanolamineNMHEARefChem:830855N-(2-hydroxyethyl)-N-methylnitrous amideN-(Nitrosomethyl)ethanolamine2-[methyl(nitroso)amino]ethan-1-ol
Show more names
Nicardipine Impurity?76N-Methyl(nitrosoamino)-ethanolN-Nitroso-2-MethylaminoethanolEthanol,2-(methylnitrosoamino)-Nicardipine Hydrochloride Impurity?76N-Methyl(nitrosoamino)-ethanol in acetonitrile
N-Nitrosomethyl-(2-hydroxyethyl) amineN-NitrosomethylethanolamineMethyl-2-hydroxyethylnitrosamineMethyl-2-hydroxyethylnitrosoamineNSC 124414BRN 18523562-[methyl(nitroso)amino]ethanolN-nitroso-methylethanolamine
Database identifiers
- CAS
26921-68-6
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 56.9
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitrosamines
Physicochemical properties
- Boiling point
- 195.23 °C · 195.23°C (rough estimate)
- Density
- 1.2719 · 1.2719 (rough estimate)
- refractive index
- 1.461 · 1.4610 (estimate)
- storage temp.
- Refrigerator, Under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- pka
- 14.13 · 14.13±0.10(Predicted)
- color
- Colourless to Pale Yellow
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Danger
- Hazard statements
- 341 · H341-H350
- Precautionary statements
- 201 · P201-P202-P281-P308+P313-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
H341 (100%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
P203, P280, P318, 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 CategoriesMuta. 2 (100%)
Safety data
- Toxicity
- dnd-rat-orl 30 mmol/kg PAACA3 27,105,86
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- Hazard statements
- H341-H350
- Precautionary statements
- P201-P202-P281-P308+P313-P405-P501
Chemistry & industry
Applications
UsesN-(Nitrosomethyl)ethanolamine can be used to study the chemical-molecular perspective of the liver specificity of the carcinogenicity of NOCs.
Upstream & downstream products
Downstream products
Suppliers33 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
上海稳同科技有限公司02151600108 13062666369 · [email protected]
广州九植医药科技有限公司020-89854820 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
深圳市洛克医药科技有限公司13128912434 · [email protected]
苏州西特罗生物医药科技有限公司2921645477 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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