Basic information
- CAS
42908-15-6- Standard SMILES
CCCCC(CC)COC(=O)c1cc(N)c(C)c(N)c1- InChIKey
IUSWWMQKWNMRSQ-UHFFFAOYSA-N- Molecular formula
- C16H26N2O2
- Average molar mass
- 278.39 g/mol
- Monoisotopic mass
- 278.19942808
Names & identifiers
- Preferred name
- Benzoic acid, 3,5-diamino-4-methyl-, 2-ethylhexyl ester
- IUPAC
- 2-ethylhexyl 3,5-diamino-4-methylbenzoate
- English name
- 2-ethylhexyl 3,5-diamino-4-methylbenzoate
- Molecular formula
- C16H26N2O2
- Molecular weight
- 278.39
Names & synonyms
42908-15-6Benzoic acid, 3,5-diamino-4-methyl-, 2-ethylhexyl esterEINECS 255-997-74-Methyl-3,5-diaminobenzoic acid, 2-ethylhexyl esterDTXSID10885880RefChem:118381DTXCID1010252382-Ethylhexyl 3,5-diamino-4-methylbenzoateSCHEMBL11220292IUSWWMQKWNMRSQ-UHFFFAOYSA-NNS000577663,5-Diamino-4-methylbenzoic acid 2-ethylhexyl ester
Database identifiers
- CAS
42908-15-6- PubChem CID
- 170702
- DTXSID
DTXSID10885880- EC Number
- 255-997-7
- Nikkaji
- J310.002B
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 78.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- EPA Substance Registry System
- 3 · Benzoic acid, 3,5-diamino-4-methyl-, 2-ethylhexyl ester (42908-15-6)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 3,5-diamino-4-methyl-, 2-ethylhexyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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