N,N-Bis(2-chloroethyl)-o-iodobenzylamine
Basic information
- CAS
40373-00-0- Standard SMILES
ClCCN(CCCl)Cc1ccccc1I- InChIKey
PKHBEFPPPVJBDM-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)-o-iodobenzylamine
- IUPAC
- 2-chloro-N-(2-chloroethyl)-N-[(2-iodophenyl)methyl]ethanamine
- English name
- N,N-Bis(2-chloroethyl)-o-iodobenzylamine
- Molecular formula
- C11H14Cl2IN
- Molecular weight
- 358.05
Names & synonyms
N,N-Bis(2-chloroethyl)-o-iodobenzylamine40373-00-0N,N-Bis(2-chloroethyl)-2-iodobenzylamineN,N-Bis(2-chloroethyl)-2-iodobenzenemethanamineBenzenemethanamine, N,N-bis(2-chloroethyl)-2-iodo-o-Iodo-dcbaBRN 2645649o-Iodo-di-(2-chloroethyl)-benzylamine4WB24TL4BABENZYLAMINE, N,N-BIS(2-CHLOROETHYL)-o-IODO-Benzenemethanamine, N,N-bis(2-chloroethyl)-2-iodo- (9CI)DTXSID30193358
Show more names
Bis(2-chloroethyl)-2-iodobenzylamine, N,N-2-Chloro-N-(2-chloroethyl)-N-[(2-iodophenyl)methyl]ethan-1-amine
Database identifiers
- CAS
40373-00-0- PubChem CID
- 38448
- DTXSID
DTXSID30193358- UNII
- 4WB24TL4BA
- Nikkaji
- J66.036A
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
- 163
Physicochemical properties
- Boiling point
- 160 °C · 160 °C(Press: 2-3 Torr)
- Density
- 1.599 · 1.599±0.06 g/cm3(Predicted)
- pka
- 3.74 · 3.74±0.50(Predicted)
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Related reactions
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Compound notes
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