Basic information
- CAS
55406-56-9- Standard SMILES
O=C(NCCCCCCNC(=O)OCC#CI)OCC#CI- InChIKey
QVKFOIYWSPUKGG-UHFFFAOYSA-N- Molecular formula
- C14H18I2N2O4
- Average molar mass
- 532.11 g/mol
- Monoisotopic mass
- 531.9356
Names & identifiers
- Preferred name
- Carbamic acid, hexamethylenedi-, bis(3-iodo-2-propynyl) ester
- IUPAC
- 3-iodoprop-2-ynyl N-[6-(3-iodoprop-2-ynoxycarbonylamino)hexyl]carbamate
- English name
- N,N'-Hexamethylenebis(carbamic acid 3-iodo-2-propynyl) ester
- Molecular formula
- C14H18I2N2O4
- Molecular weight
- 532.11
Names & synonyms
Hexamethylenedicarbamic acid bis(3-iodo-2-propynyl) esterBRN 2299445CARBAMIC ACID, HEXAMETHYLENEDI-, BIS(3-IODO-2-PROPYNYL) ESTER55406-56-9Di(3-iodo-2-propynyl)hexamethylene-1,6-dicarbamateCarbamic acid, 1,6-hexanediylbis-, bis(3-iodo-2-propynyl) esterDTXSID70203965RefChem:332452DTXCID00126456Carbamic acid, 1,6-hexanediylbis-, bis(3-iodo-2-propynyl) ester (9CI)bis(3-iodoprop-2-yn-1-yl) hexane-1,6-diylbiscarbamateN,N'-Hexamethylenebis(carbamic acid 3-iodo-2-propynyl) ester
Show more names
Carbamic acid, N,N'-1,6-hexanediylbis-, C,C'-bis(3-iodo-2-propyn-1-yl) ester
Database identifiers
- CAS
55406-56-9- PubChem CID
- 41444
- DTXSID
DTXSID70203965- Nikkaji
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 426
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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