N,N-dimethyl-7H-pyrrolo(2,3-d)pyrimidin-4-amine
Basic information
- CAS
90953-01-8- Standard SMILES
CN(C)c1ncnc2[nH]ccc12- InChIKey
WCSPMWXRKVCSRS-UHFFFAOYSA-N- Molecular formula
- C8H10N4
- Average molar mass
- 162.19 g/mol
- Monoisotopic mass
- 162.09054634
Names & identifiers
- Preferred name
- N,N-dimethyl-7H-pyrrolo(2,3-d)pyrimidin-4-amine
- IUPAC
- N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
- English name
- Tofacitinib Impurity
- Molecular formula
- C8H10N4
- Molecular weight
- 162.19
Names & synonyms
90953-01-8N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amineN,N-dimethyl-7H-pyrrolo(2,3-d)pyrimidin-4-amineRefChem:822521986-663-57H-Pyrrolo[2,3-d]pyrimidin-4-amine, N,N-dimethyl-Bio1_0004547h-pyrrolo[2,3-d]pyrimidin-4-amine,n,n-dimethyl-SCHEMBL15086982SCHEMBL18493479Bio1_000943Bio1_001432
Show more names
Tofacitinib Impurity 08Tofacitinib Impurity JT2-I7-N,N-dimethyl-7-deazapurine
AKOS040873140EN300-337031
Database identifiers
- CAS
90953-01-8- PubChem CID
- 1861
- EC Number
- 986-663-5
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Boiling point
- 300.6 · 300.6±45.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 13.34 · 13.34±0.20(Predicted)
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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. 4 (100%)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…