Basic information
- CAS
40713-31-3- Standard SMILES
COC(=O)[C@@]1(CCNCCCl)CCC[C@@]2(C)c3ccc(C(C)C)cc3CC[C@H]12.Cl- InChIKey
JEWBEXMTJIVLDE-HQROKSDRSA-N- Molecular formula
- C24H37Cl2NO2
- Average molar mass
- 442.5 g/mol
- Monoisotopic mass
- 441.2201348
Names & identifiers
- Preferred name
- 2-(2-(Chloroethyl)amino)ethyl dehydroabietate
- IUPAC
- methyl (1R,4aR,10aS)-1-[2-(2-chloroethylamino)ethyl]-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate;hydrochloride
Names & synonyms
2-(2-(Chloroethyl)amino)ethyl dehydroabietate40713-31-3RefChem:10608182-Chloroethylaminoethyl dehydroabietate hydrochlorideAbietic acid, dehydro-, 2-(2-(chloroethyl)amino)ethyl esterPodocarpa-8,11,13-trien-15-oic acid, 13-isopropyl-, 2-((2-chloroethyl)amino)ethyl ester, hydrochloride
Database identifiers
- CAS
40713-31-3- PubChem CID
- 218490
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 539
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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