Basic information
- CAS
5447-66-5- Standard SMILES
CC(C(C#N)C(N)=O)C(C#N)C(N)=O- InChIKey
XLQBCZSOEGHLAA-UHFFFAOYSA-N- Molecular formula
- C8H10N4O2
- Average molar mass
- 194.19 g/mol
- Monoisotopic mass
- 194.08037557
Names & identifiers
- Preferred name
- 2,4-Dicyano-3-methylglutaramide
- IUPAC
- 2,4-dicyano-3-methylpentanediamide
- English name
- 2,4-Dicyano-3-methylglutaramide
- Molecular formula
- C8H10N4O2
- Molecular weight
- 194.19
Names & synonyms
2,4-Dicyano-3-methylglutaramideRefChem:443506226-665-95447-66-52,4-dicyano-3-methylpentanediamidePentanediamide, 2,4-dicyano-3-methyl-EINECS 226-665-9NSC 15437Glutaramide, 2,4-dicyano-3-methyl-BRN 1712402alpha,gamma-Dicyano-beta-methyl glutaramideNSC15437
Show more names
RARECHEM AQ A3 00472,4-dicyano-3-methyl-glutaramidGlutaramide, 2,4-dicyano-3-methyl.2,4-Dicyano-3-methylglutaramide,99%alpha,gamma-dicyano-beta-methylglutaramide
3-02-00-02080 (Beilstein Handbook Reference)SCHEMBL11342595DTXSID70969635Glutaramide,4-dicyano-3-methyl-XLQBCZSOEGHLAA-UHFFFAOYSA-N2,4-dicyano-3-methyl-glutaramidePentanediamide,4-dicyano-3-methyl-NSC-15437
Database identifiers
- CAS
5447-66-5- PubChem CID
- 95498
- DTXSID
DTXSID70969635- EC Number
- 226-665-9
- Nikkaji
- J49.214K
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- Melting point
- 159 · 159-160 °C(lit.)
- Boiling point
- 330.63 °C · 330.63°C (rough estimate)
- Density
- 1.3003 · 1.3003 (rough estimate)
- refractive index
- 1.659 · 1.6590 (estimate)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311+H331
- Precautionary statements
- 280 · P280-P301+P310+P330-P302+P352+P312-P304+P340+P311
- Hazard Codes
- T
- Risk Statements
- 23 · 23/24/25
- Safety Statements
- 36 · 36/37/39-45
- RIDADR
- 3439 · UN 3439 6.1/PG 2
- WGK Germany
- 3 · 3
- RTECS
- 3000000 · MA3000000
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- 3
- rtecs
- MA3000000
- ridadr
- UN 3439 6.1/PG 2
- risk_code
- 23/24/25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 36/37/39-45
- hazard_class
- 6.1(b)
- packing_group
- III
- Hazard statements
- H301+H311+H331
- Precautionary statements
- P280-P301+P310+P330-P302+P352+P312-P304+P340+P311
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers7 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
安阳鸿蒙新材料有限公司0372-19588588067 19588588067 · [email protected]
Xuzhou B&C Chemical Technology Co., Ltd+86-400-0516-021 +86-15190678838 · [email protected]
徐州博康化学科技股份有限公司051686297676 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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