Cas no 19271-04-6 (9H-Purine-9-ethanol,6-[(4-chlorophenyl)amino]-a-[(diethylamino)methyl]-, hydrochloride (1:2))
19271-04-6 structure
Product Name:9H-Purine-9-ethanol,6-[(4-chlorophenyl)amino]-a-[(diethylamino)methyl]-, hydrochloride (1:2)
CAS No:19271-04-6
MF:C18H24Cl2N6O
MW:411.328761100769
CID:235283
PubChem ID:24190676
Update Time:2025-04-19
9H-Purine-9-ethanol,6-[(4-chlorophenyl)amino]-a-[(diethylamino)methyl]-, hydrochloride (1:2) Chemical and Physical Properties
Names and Identifiers
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- 9H-Purine-9-ethanol,6-[(4-chlorophenyl)amino]-a-[(diethylamino)methyl]-, hydrochloride (1:2)
- 1-[6-(4-chloroanilino)purin-9-yl]-3-(diethylamino)propan-2-ol,hydrochloride
- NSC112465
- NSC-112465
- DTXSID50637885
- 19271-04-6
- 1-[6-(4-Chloroanilino)-9H-purin-9-yl]-3-(diethylamino)propan-2-ol--hydrogen chloride (1/1)
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- Inchi: 1S/C18H23ClN6O.ClH/c1-3-24(4-2)9-15(26)10-25-12-22-16-17(20-11-21-18(16)25)23-14-7-5-13(19)6-8-14;/h5-8,11-12,15,26H,3-4,9-10H2,1-2H3,(H,20,21,23);1H
- InChI Key: XVDAHFOVEXRTQR-UHFFFAOYSA-N
- SMILES: ClC1C=CC(=CC=1)NC1=C2C(=NC=N1)N(C=N2)CC(CN(CC)CC)O.Cl
Computed Properties
- Exact Mass: 410.13900
- Monoisotopic Mass: 410.139
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 27
- Rotatable Bond Count: 8
- Complexity: 419
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 79.1A^2
Experimental Properties
- Density: 1.32
- Boiling Point: 585.8°Cat760mmHg
- Flash Point: 308.1°C
- Refractive Index: 1.651
- PSA: 79.10000
- LogP: 3.80100
9H-Purine-9-ethanol,6-[(4-chlorophenyl)amino]-a-[(diethylamino)methyl]-, hydrochloride (1:2) Related Literature
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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