Cas no 113-40-6 (CAPS)
CAPS structure
Product Name:CAPS
CAS No:113-40-6
MF:C23H30BrNO3
MW:448.393206119537
CID:117277
PubChem ID:154706754
Update Time:2025-04-18
CAPS Chemical and Physical Properties
Names and Identifiers
-
- 2-Propanaminium,N-methyl-N-(1-methylethyl)-N-[1-[(9H-xanthen-9-ylcarbonyl)oxy]ethyl]-, bromide(1:1)
- 2-Propanaminium,N-methyl-N-(1-methylethyl)-N-[1-[(9H-xanthen-9-ylcarbonyl)oxy]ethyl]-, bromide...
- CAPS
- BUFFER SOLUTION, PH 10.5
- BUFFER SOLUTION, PH 11.0
- BUFFER SOLUTION, PH 10.0
- Buffer solution HPCE pH 10.0
- CYCLOHEXYLAMINOPROPANESULFONIC ACID
- 3-CYCLOHEXYLAMINOPROPANESULFONIC ACID
- 3-CYCLOHEXYLAMINO-PROPANE-1-SULFONIC ACID
- 3-(CYCLOHEXYLAMINO)-1-PROPANESULPHONIC ACID
- CAPS buffer solution pH 11.0 for HPCE, CAPS buffer solution
- LABOTEST-BB LT00159602
- 113-40-6
- methyl-di(propan-2-yl)-[1-(9H-xanthene-9-carbonyloxy)ethyl]azanium;bromide
- N-(1-((9H-Xanthene-9-carbonyl)oxy)ethyl)-N-isopropyl-N-methylpropan-2-aminium bromide
-
- Inchi： 1S/C23H30NO3.BrH/c1-15(2)24(6,16(3)4)17(5)26-23(25)22-18-11-7-9-13-20(18)27-21-14-10-8-12-19(21)22;/h7-17,22H,1-6H3;1H/q+1;/p-1
- InChI Key： YJDBNGQHCDRTKM-UHFFFAOYSA-M
- SMILES： [Br-].O(C(C1C2C=CC=CC=2OC2C=CC=CC1=2)=O)C(C)[N+](C)(C(C)C)C(C)C
Computed Properties
- Exact Mass: 221.109
- Monoisotopic Mass: 221.109
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 239
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 74.8A^2
Experimental Properties
- Color/Form: 白色 結(jié)晶粉末
- Density: 1.19
- Melting Point: >300?°C(lit.)
- Boiling Point: °Cat760mmHg
- Refractive Index: 1.514
- Solubility: H2O: 0.5?M at?20?°C, clear
- PSA: 74.78000
- LogP: 2.65830
CAPS Security Information
- WGK Germany：3
- Hazard Category Code： 36/38
- Safety Instruction： 26-36/37/39-24/25-23
- FLUKA BRAND F CODES：34
- RTECS：TZ6395000
-
Hazardous Material Identification：
- Storage Condition：Store in cold storage.
CAPS Related Literature
-
1. Addition reactions of heterocyclic compounds. Part 75. Reactions of dimethyl acetylenedicarboxylate with some N-methylindolesR. Morrin Acheson,Michael C. K. Choi,Roy M. Letcher J. Chem. Soc. Perkin Trans. 1 1981 3141
-
Leah Gajecki,David J. Berg,Josh Hoenisch,Allen G. Oliver Dalton Trans. 2018 47 15487
-
Deyanira Gejsn?s-Schaad,Marco Meyer,Alessandro Prescimone,Catherine E. Housecroft,Edwin C. Constable CrystEngComm 2023 25 3000
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