Basic information
- CAS
39644-00-3- Standard SMILES
ClCCN(CCCl)Cc1ccc(I)cc1- InChIKey
XKOLLRMGDWZGPB-UHFFFAOYSA-N- Molecular formula
- C11H14Cl2IN
- Average molar mass
- 358.04 g/mol
- Monoisotopic mass
- 356.9548
Names & identifiers
- Preferred name
- N,N-Bis(2-chloroethyl)-p-iodobenzylamine
- IUPAC
- 2-chloro-N-(2-chloroethyl)-N-[(4-iodophenyl)methyl]ethanamine
- English name
- N,N-Bis(2-chloroethyl)-p-iodobenzylamine
- Molecular formula
- C11H14Cl2IN
- Molecular weight
- 358.05
Names & synonyms
39644-00-3N,N-Bis(2-chloroethyl)-p-iodobenzylamineN,N-Bis(2-chloroethyl)-4-iodobenzylamineN,N-Bis(2-chloroethyl)-4-iodobenzenemethanamineBenzenemethanamine, N,N-bis(2-chloroethyl)-4-iodo-LVA3W8N83Vp-Iodo-dcbaBENZYLAMINE, N,N-BIS(2-CHLOROETHYL)-p-IODO-p-Iodo-di-(2-chlroethyl)-benzylamineBRN 2647910UNII-LVA3W8N83VBenzenemethanamine, N,N-bis(2-chloroethyl)-4-iodo- (9CI)
Show more names
DTXSID20192754BIS(2-CHLOROETHYL)-4-IODOBENZYLAMINE, N,N-2-Chloro-N-(2-chloroethyl)-N-[(4-iodophenyl)methyl]ethan-1-amine2-CHLORO-N-(2-CHLOROETHYL)-N-((4-IODOPHENYL)METHYL)ETHANAMINE
Database identifiers
- CAS
39644-00-3- PubChem CID
- 32767
- DTXSID
DTXSID20192754- UNII
- LVA3W8N83V
- Nikkaji
- J66.037J
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- FDA UNII
- 3 W8N83V · LVA3W8N83V
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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