Basic information
- CAS
63956-95-6- Standard SMILES
ClCCN(CCCl)CC1CCCO1- InChIKey
ILGHHVUJHATVFF-UHFFFAOYSA-N- Molecular formula
- C9H17Cl2NO
- Average molar mass
- 226.14 g/mol
- Monoisotopic mass
- 225.0687196
Names & identifiers
- Preferred name
- Furfurylamine, tetrahydro-N,N-bis(2-chloroethyl)-
- IUPAC
- 2-chloro-N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)ethanamine
- English name
- N,N-Bis(2-chloroethyl)tetrahydro-2-furanmethanamine
- Molecular formula
- C9H17Cl2NO
- Molecular weight
- 226.14
Names & synonyms
TL 99563956-95-6FURFURYLAMINE, TETRAHYDRO-N,N-BIS(2-CHLOROETHYL)-Diethylamine, 2,2'-dichloro-N-tetrahydrofurfuryl-RefChem:345874N,N-bis(2-chloroethyl)tetrahydro-2-furanmethanamineDTXSID30981338DB-3087642-Chloro-N-(2-chloroethyl)-N-[(oxolan-2-yl)methyl]ethan-1-amineTL-9952-Furanmethanamine, N,N-bis(2-chloroethyl)tetrahydro-
Database identifiers
- CAS
63956-95-6- PubChem CID
- 45696
- DTXSID
DTXSID30981338- Nikkaji
- J75.536B
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- Density
- 1.1468 · 1.1468 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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