Basic information
- CAS
4560-87-6- Standard SMILES
N#CCN1CN(CC#N)CN(CC#N)C1- InChIKey
CTTRIWVSECLRDA-UHFFFAOYSA-N- Molecular formula
- C9H12N6
- Average molar mass
- 204.23 g/mol
- Monoisotopic mass
- 204.11234441
Overview
See also: 1,3,5-Tris(cyanomethyl)hexahydro-1,3,5-triazine (annotation moved to).
Names & identifiers
- Preferred name
- Methyleneaminoacetonitrile trimer
- IUPAC
- 2-[3,5-bis(cyanomethyl)-1,3,5-triazinan-1-yl]acetonitrile
- English name
- Hexahydro-1,3,5-triazine-1,3,5-tris(acetonitrile)
- Molecular formula
- C9H12N6
- Molecular weight
- 204.23
Names & synonyms
Methyleneaminoacetonitrile trimerAcetonitrile, (methyleneamino)-, trimerE95VBM3HPT1,3,5-Triazine-1,3,5(2H,4H,6H)-triacetonitrileGLYCINONITRILE, N-METHYLENE-, TRIMER2-(METHYLENEAMINO)ACETONITRILE TRIMERIC FORM [MI]RefChem:818595DTXSID0010146742-(METHYLENEAMINO)ACETONITRILE TRIMERIC FORM1,3,5-Tris(cyanomethyl)hexahydro-s-triazine4560-87-6s-Triazine-1,3,5(2H,4H,6H)triacetonitrile
Show more names
Hexahydro-1,3,5-triazine-1,3,5-trisacetonitrileHexahydro-1,3,5-triazine-1,3,5-tris(acetonitrile)2,2',2''-(Hexahydro-1,3,5-triazine-1,3,5-triyl)trisacetonitrile
2-[3,5-bis(cyanomethyl)-1,3,5-triazinan-1-yl]acetonitriles-Triazine, hexahydro-1,3,5-tris(cyanomethyl)-1,3,5-Tris(cyanomethyl)-S-hexahydrotriazineN-Methyleneglycinonitrile trimerUNII-E95VBM3HPTBRN 01718142-[3,5-bis(cyanomethyl)-1,3,5-triazaperhydroinyl]ethanenitrileNSC620141
Database identifiers
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Boiling point
- 396.5 · 396.5±42.0 °C(Predicted)
- Density
- 1.183 · 1.183±0.06 g/cm3(Predicted)
- pka
- 0.84 · 0.84±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H302-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H302-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetonitrile, 2-(methyleneamino)-, trimer: ACTIVE
Suppliers2 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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