Basic information
- CAS
181304-94-9- Standard SMILES
C=CCNc1ncnc(Cl)c1N- InChIKey
FTBSVFRUGUXZEW-UHFFFAOYSA-N- Molecular formula
- C7H9ClN4
- Average molar mass
- 184.62 g/mol
- Monoisotopic mass
- 184.051574
Names & identifiers
- Preferred name
- 6-chloro-4-N-prop-2-enylpyrimidine-4,5-diamine
- IUPAC
- 6-chloro-4-N-prop-2-enylpyrimidine-4,5-diamine
- English name
- N4-Allyl-6-chloro-pyriMidine-4,5-diaMine
- Molecular formula
- C7H9ClN4
- Molecular weight
- 184.63
Names & synonyms
181304-94-96-chloro-4-N-prop-2-enylpyrimidine-4,5-diamineDTXSID50291522RefChem:307991DTXCID60242666N4-Allyl-6-chloropyrimidine-4,5-diamine6-CHLORO-N4-(PROP-2-EN-1-YL)PYRIMIDINE-4,5-DIAMINENSC76279SCHEMBL26852696-chloro-4-N-(prop-2-en-1-yl)pyrimidine-4,5-diamineFTBSVFRUGUXZEW-UHFFFAOYSA-NNSC-76279
Show more names
N4-Allyl-6-chloro-pyriMidine-4,5-diaMine4,5-Pyrimidinediamine, 6-chloro-N4-2-propen-1-yl-
AKOS002666268SB56308N*4*-Allyl-6-chloro-pyrimidine-4,5-diaminen4-(2-propenyl)-6-chloro-4,5-pyrimidine diamineA1-20512F2124-00926-Chloro-N~4~-(prop-2-en-1-yl)pyrimidine-4,5-diamine
Database identifiers
- CAS
181304-94-9- PubChem CID
- 253370
- DTXSID
DTXSID50291522
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 152
Physicochemical properties
- Boiling point
- 343.8 · 343.8±42.0 °C(Predicted)
- Density
- 1.341 · 1.341±0.06 g/cm3(Predicted)
- pka
- 2.67 · 2.67±0.10(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
5 records
Compound notes
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