Basic information
- CAS
40372-95-0- Standard SMILES
ClCCN(CCCl)Cc1cccc(I)c1- InChIKey
HLZFXLNNDDPEGM-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)-m-iodobenzylamine
- IUPAC
- 2-chloro-N-(2-chloroethyl)-N-[(3-iodophenyl)methyl]ethanamine
- English name
- N,N-Bis(2-chloroethyl)-m-iodobenzylamine
- Molecular formula
- C11H14Cl2IN
- Molecular weight
- 358.05
Names & synonyms
40372-95-0N,N-Bis(2-chloroethyl)-m-iodobenzylamineBenzenemethanamine, N,N-bis(2-chloroethyl)-3-iodo- (9CI)N,N-Bis(2-chloroethyl)-3-iodobenzylamine2-chloro-N-(2-chloroethyl)-N-[(3-iodophenyl)methyl]ethanamine2-Chloro-N-(2-chloroethyl)-N-(3-iodobenzyl)ethan-1-aminem-Iodo-dcbaBRN 2647553m-Iodo-di-(2-chloroethyl)-benzylamineN,N-Bis(2-chloroethyl)-3-iodobenzenemethanamineBenzenemethanamine, N,N-bis(2-chloroethyl)-3-iodo-starbld0029635
Show more names
BENZYLAMINE, N,N-BIS(2-CHLOROETHYL)-m-IODO-orb1986444DTXSID70193357AKOS040750752T303582-Chloro-N-(2-chloroethyl)-N-[(3-iodophenyl)methyl]ethan-1-amine
Database identifiers
- CAS
40372-95-0- PubChem CID
- 38447
- DTXSID
DTXSID70193357- Nikkaji
- J66.035C
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
- 163 °C · 163 °C(Press: 3-4 Torr)
- Density
- 1.599 · 1.599±0.06 g/cm3(Predicted)
- pka
- 3.86 · 3.86±0.50(Predicted)
Chemistry & industry
Suppliers2 total
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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