Basic information
- CAS
109-82-0- Standard SMILES
C=NCC#N- InChIKey
GFZMFCVDDFHSJK-UHFFFAOYSA-N- Molecular formula
- C3H4N2
- Average molar mass
- 68.08 g/mol
- Monoisotopic mass
- 68.03744814
Names & identifiers
- Preferred name
- 2-(Methyleneamino)acetonitrile
- IUPAC
- 2-(methylideneamino)acetonitrile
- English name
- Methylenaminoacetonitrile
- Molecular formula
- C3H4N2
- Molecular weight
- 68.08
Names & synonyms
109-82-0Methyleneaminoacetonitrile2-(methyleneamino)acetonitrileN-MethyleneglycinonitrileUSAF DO-5alpha-Hydroformamine cyanideMethyleniminoacetonitrile(Methylenamino)acetonitrileMethylene aminoacetonitrileN-Methylene glycinonitrileUNII-VUC4O8Q6ROVUC4O8Q6RO
Show more names
maanusafdo-53-AminoacetonitrileMethlyene amino acet-HydroformaminecyanideAdamantane Impurity 26-HydroformaminecyanideMETHYLENEGLYCINONITRILEMethyleminoacetonitrileMethyliminoacetonitrile
EINECS 203-709-5NSC 128385BRN 1848155AI3-17751NSC-3486NSC-57883NSC-128385DTXSID0059378
Database identifiers
- CAS
109-82-0- PubChem CID
- 8015
- DTXSID
DTXSID0059378- UNII
- VUC4O8Q6RO
- EC Number
- 203-709-5
- Nikkaji
- J10.595C
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 36.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 66
Physicochemical properties
- Melting point
- 127 · 127-130 °C
- Boiling point
- 106.45 °C · 106.45°C (rough estimate)
- Density
- 0.8765 · 0.8765 (rough estimate)
- refractive index
- 1.4089 · 1.4089 (estimate)
- solubility
- slightly sol. in Benzene
- form
- powder to crystal
- pka
- 3.3 · 3.30±0.50(Predicted)
- color
- White to Almost white
- Merck
- 14 · 14,6057
- BRN
- 1848155 · 1848155
- Exposure limits
- 25 mg/m3 · NIOSH: IDLH 25 mg/m3
- InChI
- InChI=1S/C3H4N2/c1-5-3-2-4/h1,3H2
- InChIKey
- GFZMFCVDDFHSJK-UHFFFAOYSA-N
- SMILES
- C(#N)CN=C
- CAS DataBase Reference
- 109 · 109-82-0(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
Safety & regulation
Safety data
- tsca
- TSCA listed
- rtecs
- MC1925000
- hs_code
- 2926.90.5050
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS06
- hazard_code
- Xn
- safety_code
- 36/37/39-26-22
- Hazard statements
- H301-H311-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P301+P310a-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesMethylenaminoacetonitrile can be used as a precursor in organic synthesis.
Preparation methods
PreparationMethylenaminoacetonitrile can be prepared by the action of formaldehyde on a mixture of ammonium chloride, potassium cyanide, and acetic acid, and by the action of formaldehyde on aminoacetonitrile.
Upstream & downstream products
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
上海弘顺生物科技有限公司
Related reactions
1 records
Compound notes
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