N-methylpyrimidin-4-amine
Basic information
- CAS
22632-10-6- Standard SMILES
CNc1ccncn1- InChIKey
VERCQLOBLOLFMW-UHFFFAOYSA-N- Molecular formula
- C5H7N3
- Average molar mass
- 109.13 g/mol
- Monoisotopic mass
- 109.06399724
Names & identifiers
- Preferred name
- N-methylpyrimidin-4-amine
- IUPAC
- N-methylpyrimidin-4-amine
- English name
- 4-Pyrimidinamine, N-methyl- (9CI)
- Molecular formula
- C5H7N3
- Molecular weight
- 109.13
Names & synonyms
N-methylpyrimidin-4-amine22632-10-6DTXSID30334209RefChem:364650DTXCID00285299964-192-64-(Methylamino)pyrimidineMFCD106978374-Pyrimidinamine, N-methyl- (9CI)Pyrimidine, 4-(methylamino)-4-methylaminopyrimidinepyrimidin-4-yl-methylamine
Show more names
4-Pyrimidinamine, N-methyl-4-(Methylamino)Pyrimidine(WX606069)
pyrimidine, 4-methylamino-SCHEMBL84648SCHEMBL356954SCHEMBL2068128SCHEMBL12471280SCHEMBL29608372VERCQLOBLOLFMW-UHFFFAOYSA-NAKOS010502461
Database identifiers
- CAS
22632-10-6- PubChem CID
- 519971
- DTXSID
DTXSID30334209- EC Number
- 964-192-6
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 37.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 64.7
Physicochemical properties
- Melting point
- 74 · 74-75 °C
- Boiling point
- 142 · 142-144 °C(Press: 16 Torr)
- Density
- 1.144 · 1.144±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 6.11 · 6.11±0.10(Predicted)
- HS Code
- 2933599590 · 2933599590
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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%)
Safety data
- hs_code
- 2933599590
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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