N-methylpyrimidin-2-amine
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Basic information
- CAS
931-61-3- Standard SMILES
CNc1ncccn1- InChIKey
BQNXHDSGGRTFNX-UHFFFAOYSA-N- Molecular formula
- C5H7N3
- Average molar mass
- 109.13 g/mol
- Monoisotopic mass
- 109.06399724
Names & identifiers
- Preferred name
- N-methylpyrimidin-2-amine
- IUPAC
- N-methylpyrimidin-2-amine
- English name
- 2-Pyrimidinamine, N-methyl- (9CI)
- Molecular formula
- C5H7N3
- Molecular weight
- 109.13
Names & synonyms
n-methylpyrimidin-2-amineN-Methyl-2-PyrimidinamineRefChem:830786831-153-92-Methylaminopyrimidine931-61-32-Pyrimidinamine, N-methyl-Methyl-pyrimidin-2-yl-amineMFCD002341262-Pyrimidinamine, N-methyl- (9CI)8HQB8CU97KNSC-102272
Show more names
NSC 102272methyl(pyrimidin-2-yl)amine2-Pyrimidinamine, N-methyl- (9CI) ISO 9001：2015 REACH
2-(Methylamino)pyrimidinePyrimidine, 2-(methylamino)-MethylaminopyrimidinJH4NSC102272methyl-2 pyrimidinylaminemethylpyrimidin-2-yl-amine2(N-methylamino)pyrimidine
Database identifiers
- CAS
931-61-3- PubChem CID
- 265776
- DTXSID
DTXSID40295478- UNII
- 8HQB8CU97K
- EC Number
- 831-153-9
- Nikkaji
- J2.409.603C
Properties
Computed structural propertiesFilling in
- 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
- 58.7
Physicochemical properties
- Melting point
- 60 · 60-62℃
- Boiling point
- 216 ℃ · 216℃
- Density
- 1.144 · 1.144
- Flash point
- 85 ℃ · 85℃
- storage temp.
- 2 · 2-8°C(protect from light)
- form
- Solid
- pka
- 3.9 · 3.90±0.10(Predicted)
- Appearance
- White to yellow Solid
- InChI
- InChI=1S/C5H7N3/c1-6-5-7-3-2-4-8-5/h2-4H,1H3,(H,6,7,8)
- InChIKey
- BQNXHDSGGRTFNX-UHFFFAOYSA-N
- SMILES
- C1(NC)=NC=CC=N1
- FDA UNII
- 8 HQB8CU97K · 8HQB8CU97K
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
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
H228 (100%): Flammable solid [Danger Flammable solids]
P210, P240, P241, 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, P370+P378, 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 CategoriesFlam. Sol. 1 (100%)
Safety data
- hs_code
- 2933599590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
2 records
Compound notes
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