Basic information
- CAS
64046-79-3- Standard SMILES
COc1ccc2nc3cc(Cl)ccc3c(NC(C)CCCN(CCCl)CCCl)c2c1- InChIKey
UKOBAUFLOGFCMV-UHFFFAOYSA-N- Molecular formula
- C23H28Cl3N3O
- Average molar mass
- 468.8 g/mol
- Monoisotopic mass
- 467.129796
Overview
Quinacrine mustard is a nitrogen mustard and a member of aminoacridines. It is functionally related to a quinacrine.
Names & identifiers
- Preferred name
- N1,N1-Bis(2-chloroethyl)-N4-(6-chloro-2-methoxy-9-acridinyl)-1,4-pentanediamine
- IUPAC
- 1-N,1-N-bis(2-chloroethyl)-4-N-(6-chloro-2-methoxyacridin-9-yl)pentane-1,4-diamine
Names & synonyms
quinacrine mustard64046-79-3NSC-34248Y3YQP8GW61,4-Pentanediamine, N1,N1-bis(2-chloroethyl)-N4-(6-chloro-2-methoxy-9-acridinyl)-CHEBI:37595N1,N1-bis(2-Chloroethyl)-N4-(6-chloro-2-methoxy-9-acridinyl)-1,4-pentanediamineN(1),N(1)-bis(2-chloroethyl)-N(4)-(6-chloro-2-methoxyacridin-9-yl)pentane-1,4-diamineACRIDINE, 9-((4-(BIS(2-CHLOROETHYL)AMINO)-1-METHYLBUTYL)AMINO)-6-CHLORO-2-METHOXY-N1,N1-BIS(2-CHLOROETHYL-N4-(6-CHLORO-2-METHOXY-9-ACRIDINYL)-1,4-PENTANEDIAMINEYperite, AcrichineMustard, Quinacrine
Show more names
RefChem:9273581,4-Pentanediamine, N1,N1-bis(2-chloroethyl)-N4-(6-chloro-2-methoxy-9-acridinyl)-, dihydrochloride1-N,1-N-bis(2-chloroethyl)-4-N-(6-chloro-2-methoxyacridin-9-yl)pentane-1,4-diamineN4-(6-Chloro-2-methoxyacridin-9-yl)-N1,N1-bis(2-chloroethyl)pentane-1,4-diamineNSC 3424UNII-8Y3YQP8GW6BRN 0056337Acrichine Yperite
Database identifiers
- CAS
64046-79-3- PubChem CID
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 494
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Health HazardsACUTE/CHRONIC HAZARDS: Extremely toxic. Hazardous decomposition products. A mutagen and experimental carcinogen. (NTP, 1992)
Reactive GroupAmines, Phosphines, and Pyridines
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Safety & protection
Fire Fighting
This compound is not very flammable but any fire involving this compound may produce dangerous vapors. You should evacuate the area. All firefighters should wear full-body protective clothing and use self-contained breathing apparatuses. You should extinguish any fires involving this chemical with a dry chemical, carbon dioxide, foam, or halon extinguisher. (NTP, 1992)
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, you should dampen the solid spill material with alcohol, then transfer the dampened material to a suitable container. Use absorbent paper dampened with alcohol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Chemicals that emit light after excitation by light. The wave length of the emitted light is usually longer than that of the incident light. Fluorochromes are substances that cause fluorescence in other substances, i.e., dyes used to mark or label other compounds with fluorescent tags.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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