Basic information
- CAS
17070-45-0- Standard SMILES
COc1ccc2nc3cc(Cl)ccc3c(NCCCNCCCl)c2c1.Cl.Cl- InChIKey
LMEMIKWTNPWYMI-UHFFFAOYSA-N- Molecular formula
- C19H23Cl4N3O
- Average molar mass
- 451.2 g/mol
- Monoisotopic mass
- 449.059523
Overview
Acridine half-mustard dihydrochloride is a hydrochloride salt resulting from the reaction of acridine half-mustard with 2 mol eq. of hydrogen chloride. It has a role as a mutagen. It contains an acridine half-mustard(2+).
Names & identifiers
- Preferred name
- ICR-191 dihydrochloride
- IUPAC
- N-(2-chloroethyl)-N'-(6-chloro-2-methoxyacridin-9-yl)propane-1,3-diamine;dihydrochloride
- English name
- 6-Chloro-9-[3-(2-chloroethylamino)propylamino]-2-methoxyacridine dihydrochloride
- Molecular formula
- C19H22Cl3N3O
- Molecular weight
- 414.76
Names & synonyms
Acridine Mutagen ICR 191Icr-191 dihydrochlorideICR-191A9U6A4Q2BE42-Methoxy-6-chloro-9-(2-chloroethylaminopropylamino)acridine dihydrochlorideNSC-1696576-Chloro-9-((3-((2-chloroethyl)amino)propyl)amino)-2-methoxyacridine dihydrochlorideRefChem:1087151241-129-46-Chloro-9-[3-(2-chloroethylamino)propylamino]-2-methoxyacridine dihydrochloride1,3-Propanediamine, N-(2-chloroethyl)-N'-(6-chloro-2-methoxy-9-acridinyl)-, dihydrochlorideN-(2-chloroethyl)-N'-(6-chloro-2-methoxyacridin-9-yl)propane-1,3-diamine;dihydrochloride
Show more names
icr-191RMA-285ACRIDINEICR191ICR-191ACRIDINEicrdihydrochlorideICR-191DIHYDROCHLORIDETalazoparib Impurity 8ICR 191 ACRIDINE MUTAGEN
6-CHLORO-N-{3-[(2-CHLOROETHYL)AMINO]PROPYL}-2-METHOXYACRIDIN-9-AMINE DIHYDROCHLORIDE17870-45-0Ames mutagen 191acridine half-mustard.2HClC19H23Cl4N3Oorb3177356SCHEMBL1679517SCHEMBL30299454
Properties
Computed structural properties
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 401
Physicochemical properties
- Melting point
- 261 · 261-262 °C
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO: soluble
- form
- Solid
- color
- Light Yellow to Yellow
- BRN
- 8176205 · 8176205
- InChI
- 1S/C19H21Cl2N3O.2ClH/c1-25-14-4-6-17-16(12-14)19(23-9-2-8-22-10-7-20)15-5-3-13(21)11-18(15)24-17;;/h3-6,11-12,22H,2,7-10H2,1H3,(H,23,24);2*1H
- InChIKey
- LMEMIKWTNPWYMI-UHFFFAOYSA-N
- SMILES
- Cl[H].Cl[H].COc1ccc2nc3cc(Cl)ccc3c(NCCCNCCCl)c2c1
- FDA UNII
- 9 U6A4Q2BE4 · 9U6A4Q2BE4
- EPA Substance Registry System
- 2 · 2-Methoxy-6-chloro-9-(2-chloroethylaminopropylamino)acridine dihydrochloride (17070-45-0)
- UNSPSC Code
- 12171500 · 12171500
- NACRES
- 32 · NA.32
- Symbol(GHS)
- 6 · GHS06,GHS08
- Signal word
- Danger
- Hazard statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 8
- PPE
- Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- wgk
- 3
- rtecs
- AR7678000
- ridadr
- UN 2811 6.1/PG 1
- risk_code
- 45-46-26/27/28
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08
- hazard_code
- T+
- safety_code
- 53-36/37/39-45
- hazard_class
- 6.1(b)
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- packing_group
- III
- Hazard statements
- H300+H310+H330-H350
- Hazard Classifications
- Acute Tox. 1 InhalationAcute Tox. 2 DermalAcute Tox. 2 OralCarc. 1B
- Precautionary statements
- P202-P260-P264-P280-P302+P352+P310-P304+P340+P310
Chemistry & industry
Applications
UsesAcridine Mutagen ICR 191 is a probe used in the Ames test usingSalmonella and E. coli.
General DescriptionYellow crystalline or chunky solid.
Suppliers22 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
怀化市冰峰化工有限公司0745-2866851 17711757908 · [email protected]
杭州扬德医药科技有限公司0571-81953185 +86-15381198709 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
湖南汇百益新材料有限公司400-0909710 13319523173 · [email protected]
湖南华义智德医药科技有限公司17752881701 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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