Basic information
- CAS
38234-13-8- Standard SMILES
COC(=O)[C@@H]1CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12.ClCCNCCCl- InChIKey
KCXYNYMHFSWCKZ-JJTKFDEFSA-N- Molecular formula
- C24H37Cl2NO2
- Average molar mass
- 442.5 g/mol
- Monoisotopic mass
- 441.2201348
Names & identifiers
- Preferred name
- Methyl 4a-methyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate--2-chloro-N-(2-chloroethyl)ethan-1-amine (1/1)
- IUPAC
- 2-chloro-N-(2-chloroethyl)ethanamine;methyl (1R,4aS,10aS)-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate
- English name
- 2-chloro-N-(2-chloroethyl)ethanamine, methyl (1R,4aS,10aS)-4a-methyl-7 -propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate
- Molecular formula
- C24H37Cl2NO2
- Molecular weight
- 442.46208
Names & synonyms
38234-13-8DTXSID70959177Methyl 4a-methyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate--2-chloro-N-(2-chloroethyl)ethan-1-amine (1/1)RefChem:1089483DTXCID301387064Dehydroabietic acid bis (2-chloroethyl)amineAbietic acid, dehydro-, bis(2-chloroethyl)amine saltPodocarpa-8,11,13-trien-15-oic acid, 13-isopropyl-, bis(2-chloroethyl)amine saltMethyl (1R,4aS,10aS)-4a-methyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate--2-chloro-N-(2-chloroethyl)ethan-1-amine (1/1)2-chloro-N-(2-chloroethyl)ethanamine, methyl (1R,4aS,10aS)-4a-methyl-7 -propan-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate
Database identifiers
- CAS
38234-13-8- PubChem CID
- 217191
- DTXSID
DTXSID70959177
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 445
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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