Basic information
- CAS
133550-80-8- Standard SMILES
CCCCCCCCCCCCNC(C)(CO)CO.Cl- InChIKey
AESYBJDGCMPYNP-UHFFFAOYSA-N- Molecular formula
- C16H36ClNO2
- Average molar mass
- 309.9 g/mol
- Monoisotopic mass
- 309.2434571
Names & identifiers
- Preferred name
- 1,3-Propanediol, 2-(dodecylamino)-2-methyl-, hydrochloride
- IUPAC
- 2-(dodecylamino)-2-methylpropane-1,3-diol;hydrochloride
- English name
- 2-(dodecylamino)-2-methyl-propane-1,3-diol hydrochloride
- Molecular formula
- C16H36ClNO2
- Molecular weight
- 0
Names & synonyms
133550-80-81,3-Propanediol, 2-(dodecylamino)-2-methyl-, hydrochloride2-(Dodecylamino)-2-methyl-1,3-propanediol hydrochlorideDTXSID70158168RefChem:219610DTXCID10806592-(dodecylamino)-2-methylpropane-1,3-diol;hydrochloride2-(DODECYLAMINO)-2-METHYL-PROPANE-1,3-DIOL HYDROCHLORIDECHEMBL5454422-(Dodecylamino)-2-methylpropane-1,3-diol--hydrogen chloride (1/1)
Database identifiers
- CAS
133550-80-8- PubChem CID
- 149652
- DTXSID
DTXSID70158168- ChEMBL
CHEMBL545442
Properties
Computed structural properties
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 182
Chemistry & industry
Suppliers1 total
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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