2-(Methylnitrosoamino)acetonitrile
Basic information
- CAS
3684-97-7- Standard SMILES
CN(CC#N)N=O- InChIKey
KJIVJRGXJXQEQK-UHFFFAOYSA-N- Molecular formula
- C3H5N3O
- Average molar mass
- 99.09 g/mol
- Monoisotopic mass
- 99.04326179
Names & identifiers
- Preferred name
- 2-(Methylnitrosoamino)acetonitrile
- IUPAC
- N-(cyanomethyl)-N-methylnitrous amide
- English name
- N-NITROSOMETHYLAMINOACETONITRILE
- Molecular weight
- 0
Names & synonyms
3684-97-7ACETONITRILE, 2(N-METHYL-N-NITROSO)AMINO-2-(Methylnitrosoamino)acetonitrileDTXSID30190302RefChem:461344DTXCID00112793N-Nitrosomethylaminoacetonitrile(Cyanomethyl)methylnitrosamineBRN 1925134N-(cyanomethyl)-N-methylnitrous amideN-Nitrosomethylaminacetonitril [German]2-(N-Methyl-N-nitroso)aminoacetonitrile
Show more names
(Methylnitrosoamino)acetonitrile
N-NitrosomethylaminacetonitrilGlycinonitrile, N-methyl-N-nitroso-CHEMBL166186SCHEMBL11218866AKOS006279562
Database identifiers
- CAS
3684-97-7- PubChem CID
- 19376
- DTXSID
DTXSID30190302- ChEMBL
CHEMBL166186- EC Number
- 995-489-9
- Nikkaji
- J33.805B
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 102
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physicochemical properties
- Boiling point
- 185.55 °C · 185.55°C (rough estimate)
- Density
- 1.3131 · 1.3131 (rough estimate)
- refractive index
- 1.45 · 1.4500 (estimate)
- CAS DataBase Reference
- 3684 · 3684-97-7
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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 CategoriesAcute Tox. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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