N,N-Dimethyl-N'-naphthylpropane-1,3-diamine
Basic information
- CAS
5235-83-6- Standard SMILES
CN(C)CCCNc1cccc2ccccc12- InChIKey
UXKSOKMNCZEVNT-UHFFFAOYSA-N- Molecular formula
- C15H20N2
- Average molar mass
- 228.33 g/mol
- Monoisotopic mass
- 228.16264865
Names & identifiers
- Preferred name
- N,N-Dimethyl-N'-naphthylpropane-1,3-diamine
- IUPAC
- N',N'-dimethyl-N-naphthalen-1-ylpropane-1,3-diamine
- English name
- N,N-dimethyl-N'-naphthylpropane-1,3-diamine
- Molecular formula
- C15H20N2
- Molecular weight
- 228.3327
Names & synonyms
N,N-Dimethyl-N'-naphthylpropane-1,3-diamineEINECS 226-034-8YC3R3P68S2N',N'-dimethyl-N-naphthalen-1-ylpropane-1,3-diamineDTXSID90200375N1,N1-DIMETHYL-N3-1-NAPHTHALENYL-1,3-PROPANEDIAMINE1,3-PROPANEDIAMINE, N1,N1-DIMETHYL-N3-1-NAPHTHALENYL-RefChem:161265DTXCID90122866226-034-85235-83-6UNII-YC3R3P68S2
Show more names
N,N-Dimethyl-N'-(1-naphthalenyl)-1,3-propanediamine
SCHEMBL9444058UXKSOKMNCZEVNT-UHFFFAOYSA-NN(1),N(1)-DIMETHYL-N(3)-(1-NAPHTHYL)-1,3-PROPANEDIAMINE3-dimethylamino-propyl-naphthalen-1-yl-amineNS00045321N~1~,N~1~-Dimethyl-N~3~-(naphthalen-1-yl)propane-1,3-diamine
Database identifiers
- CAS
5235-83-6- PubChem CID
- 78899
- DTXSID
DTXSID90200375- UNII
- YC3R3P68S2
- EC Number
- 226-034-8
- Nikkaji
- J297.950K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Melting point
- 184 · 184-185 °C
- Boiling point
- 184 · 184-185 °C(Press: 2.5 Torr)
- Density
- 1.055 · 1.055±0.06 g/cm3(Predicted)
- pka
- 9.53 · 9.53±0.28(Predicted)
- FDA UNII
- 3 R3P68S2 · YC3R3P68S2
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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