Basic information
- CAS
68516-56-3- Standard SMILES
CCCCCCCCCCCCc1ccc([O-])c(CNCCN)c1.CCCCCCCCCCCCc1ccc([O-])c(CNCCN)c1.[Ca+2]- InChIKey
CINHZNZNSOVFID-UHFFFAOYSA-L- Molecular formula
- C42H74CaN4O2
- Average molar mass
- 707.1 g/mol
- Monoisotopic mass
- 706.5437685
Names & identifiers
- Preferred name
- Phenol, 2-(((2-aminoethyl)amino)methyl)-4-dodecyl-, calcium salt (2:1)
- IUPAC
- calcium bis(2-[(2-aminoethylamino)methyl]-4-dodecylphenolate)
- English name
- calcium 2-[[(2-aminoethyl)amino]methyl]-4-dodecylphenolate (1:2)
- Molecular formula
- C42H74CaN4O2
- Molecular weight
- 707.14056
Names & synonyms
68516-56-3EINECS 271-161-4Phenol, 2-[[(2-aminoethyl)amino]methyl]-4-dodecyl-, calcium salt (2:1)DTXSID1071585Phenol, 2-(((2-aminoethyl)amino)methyl)-4-dodecyl-, calcium salt (2:1)RefChem:172739DTXCID1046051Phenol, 2-(2-aminoethyl)aminomethyl-4-dodecyl-, calcium salt (2:1)calcium bis(2-{[(2-aminoethyl)amino]methyl}-4-dodecylphenolate)CINHZNZNSOVFID-UHFFFAOYSA-LCalcium 2-(((2-aminoethyl)amino)methyl)-4-dodecylphenolate (1:2)Calcium bis[2-[[(2-aminoethyl)amino]methyl]-4-dodecylphenolate]
Show more names
calcium 2-[[(2-aminoethyl)amino]methyl]-4-dodecylphenolate (1:2)
Database identifiers
- CAS
68516-56-3- PubChem CID
- 110413
Properties
Computed structural properties
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 30
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 273
Physicochemical properties
- EPA Substance Registry System
- 2 · Phenol, 2-[[(2-aminoethyl)amino]methyl]-4-dodecyl-, calcium salt (2:1) (68516-56-3)
- 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.
Hazard information
Regulatory InformationPhenol, 2-(2-aminoethyl)aminomethyl-4-dodecyl-, calcium salt (2:1): Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 2-[[(2-aminoethyl)amino]methyl]-4-dodecyl-, calcium salt (2:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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