N-Nitroso-N-methylallylamine
Basic information
- CAS
4549-43-3- Standard SMILES
C=CCN(C)N=O- InChIKey
OWSNZTOUPZXKPJ-UHFFFAOYSA-N- Molecular formula
- C4H8N2O
- Average molar mass
- 100.12 g/mol
- Monoisotopic mass
- 100.06366288
Names & identifiers
- Preferred name
- N-Nitroso-N-methylallylamine
- IUPAC
- N-methyl-N-prop-2-enylnitrous amide
- English name
- N-METHYL-N-ALLYLNITROSAMINE
- Molecular formula
- C4H8N2O
- Molecular weight
- 100.12
Names & synonyms
N-Nitroso-N-methylallylamineMethylallylnitrosamine4549-43-3N-NitrosomethylallylamineAllylmethylnitrosamineNitrosomethylallylamineN-Methyl-N-nitrosoallylamineN-NitrosoallylmethylamineAllylamine, N-methyl-N-nitroso-MethylallylnitrosaminMethylallylnitrosamin [German]BRN 1743212
Show more names
METHYL-ALLYL-NITROSAMINEN-METHYL-N-ALLYLNITROSAMINEALLYLAMINE,N-METHYL-N-NITROSO-
2-Propen-1-amine, N-methyl-N-nitroso-N-Methyl-N-nitroso-2-propen-1-amineUNII-7788P910NG7788P910NGDTXSID901965270-04-00-00218 (Beilstein Handbook Reference)RefChem:163970DTXCID30119018
Database identifiers
- CAS
4549-43-3- PubChem CID
- 20679
- DTXSID
DTXSID90196527- ChEMBL
CHEMBL165557- UNII
- 7788P910NG
- EC Number
- 975-710-5
- Nikkaji
- J33.789G
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 72.1
Physicochemical properties
- Boiling point
- 187.56 °C · 187.56°C (rough estimate)
- Density
- 1.1275 · 1.1275 (rough estimate)
- refractive index
- 1.488 · 1.4880 (estimate)
- FDA UNII
- 7788 P910NG · 7788P910NG
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
H227 (100%): Combustible liquid [Warning Flammable liquids]
P203, P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, 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
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
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Compound notes
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