N,N,N'-tri(beta-chloroethyl)-N'-(4-formylphenyl)-1,3-propylenediamine
Basic information
- CAS
66648-37-1- Standard SMILES
O=Cc1ccc(N(CCCl)CCCN(CCCl)CCCl)cc1- InChIKey
DHYSDJTVLQLIDM-UHFFFAOYSA-N- Molecular formula
- C16H23Cl3N2O
- Average molar mass
- 365.7 g/mol
- Monoisotopic mass
- 364.087596
Overview
used to alkylate RNA; structure
Names & identifiers
- Preferred name
- N,N,N'-tri(beta-chloroethyl)-N'-(4-formylphenyl)-1,3-propylenediamine
- IUPAC
- 4-[3-[bis(2-chloroethyl)amino]propyl-(2-chloroethyl)amino]benzaldehyde
- English name
- N,N,N'-Tri(beta-chloroethyl)-N'-(4-formylphenyl)-1,3-propylenediamine
- Molecular formula
- C16H23Cl3N2O
- Molecular weight
- 365.73
Names & synonyms
66648-37-1N,N,N'-Tri(beta-chloroethyl)-N'-(4-formylphenyl)-1,3-propylenediamineDTXSID10216817Benzaldehyde, 4-((3-(bis(2-chloroethyl)amino)propyl)(2-chloroethyl)amino)-RefChem:161064DTXCID40139308Cl(3)RN,N,N'-TfpN,N,N'-Tri(beta-chloroethyl)-N'-(p-formylphenyl)-1,3-propylenediamine4-[{3-[bis(2-chloroethyl)amino]propyl}(2-chloroethyl)amino]benzaldehydeBenzaldehyde, 4-[[3-[bis(2-chloroethyl)amino]propyl](2-chloroethyl)amino]-
Database identifiers
- CAS
66648-37-1- PubChem CID
- 125633
- DTXSID
DTXSID10216817
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 281
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Related reactions
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Compound notes
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