N1,N1-dimethyl-N2-4-quinazolinyl-1,2-ethanediamine
Basic information
- CAS
3337-87-9- Standard SMILES
CN(C)CCNc1ncnc2ccccc12- InChIKey
YTGHVUIQNDNPCX-UHFFFAOYSA-N- Molecular formula
- C12H16N4
- Average molar mass
- 216.28 g/mol
- Monoisotopic mass
- 216.13749653
Names & identifiers
- Preferred name
- N1,N1-dimethyl-N2-4-quinazolinyl-1,2-ethanediamine
- IUPAC
- N',N'-dimethyl-N-quinazolin-4-ylethane-1,2-diamine
- English name
- 4-[2-(Dimethylamino)ethylamino]quinazoline
- Molecular formula
- C12H16N4
- Molecular weight
- 216.28
Names & synonyms
Quinazoline, 4-((2-(dimethylamino)ethyl)amino)-3337-87-9DTXSID00186994Quinazoline, 4-[[2-(dimethylamino)ethyl]amino]-N1,N1-dimethyl-N2-4-quinazolinyl-1,2-ethanediamineRefChem:1092149DTXCID40109485N,N-Dimethyl-N'-quinazolin-4-yl-ethane-1,2-diamineMLS0000315554-Dimethyl aminoethyl amino quinazolineSMR000010337BRN 0746606
Show more names
4-[2-(Dimethylamino)ethylamino]quinazoline1,2-Ethanediamine, N1,N1-dimethyl-N2-4-quinazolinyl-
SU-13026EQ7HM4CGV5Oprea1_599682Oprea1_673088CHEMBL1624896BDBM39575cid_2789306HMS1680N16
Database identifiers
- CAS
3337-87-9- PubChem CID
- 18753
- DTXSID
DTXSID00186994- ChEMBL
CHEMBL1624896- UNII
- EQ7HM4CGV5
- Nikkaji
- J48.178E
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Melting point
- 146 · 146-148 °C
- Boiling point
- 373.6 · 373.6±27.0 °C(Predicted)
- Density
- 1.161 · 1.161±0.06 g/cm3(Predicted)
- pka
- 9.02 · 9.02±0.28(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…