4-Amino-2-dimethylamino-1,3,5-triazine
Basic information
- CAS
4039-98-9- Standard SMILES
CN(C)c1ncnc(N)n1- InChIKey
MLIWWBOLVXREMI-UHFFFAOYSA-N- Molecular formula
- C5H9N5
- Average molar mass
- 139.16 g/mol
- Monoisotopic mass
- 139.08579531
Names & identifiers
- Preferred name
- 4-Amino-2-dimethylamino-1,3,5-triazine
- IUPAC
- 2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
- English name
- N,N-Dimethyl-1,3,5-triazine-2,4-diamine
- Molecular formula
- C5H9N5
- Molecular weight
- 139.16
Names & synonyms
4-amino-2-dimethylamino-1,3,5-triazineRefChem:517638637-028-3N,N-dimethyl-1,3,5-triazine-2,4-diamine4039-98-9N2,N2-Dimethyl-1,3,5-triazine-2,4-diamine2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamineMFCD000859791,3,5-Triazine-2,4-diamine, N,N-dimethyl-NSC-166459NSC166459SJE3AK85LK
Show more names
(4-amino-s-triazin-2-yl)-dimethyl-amine1,3,5-Triazine-2,4-diamine, N2,N2-dimethyl-
2-Amino-4-N,N-Dimethylamino-1,3,5-TriazineSCHEMBL2491794SCHEMBL10351402SCHEMBL29581593DTXSID70304608ALBB-016229STL1222202-amino-4-dimethylamino-sym-triazine
Database identifiers
- CAS
4039-98-9- PubChem CID
- 296361
- DTXSID
DTXSID70304608- UNII
- SJE3AK85LK
- EC Number
- 637-028-3
- Nikkaji
- J79.909B
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 104
Physicochemical properties
- Melting point
- 189 · 189-190 °C
- Boiling point
- 331.7 · 331.7±25.0 °C(Predicted)
- Density
- 1.272 · 1.272±0.06 g/cm3(Predicted)
- pka
- 4.55 · 4.55±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- HazardClass
- IRRITANT
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
Warning
H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (97.5%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…