Cas no 101651-85-8 (1H-Indol-5-ol,3-(2,3-diaminopropyl)-, hydrochloride (1:2))
101651-85-8 structure
Product Name:1H-Indol-5-ol,3-(2,3-diaminopropyl)-, hydrochloride (1:2)
CAS No:101651-85-8
MF:C11H17Cl2N3O
MW:278.178180456162
CID:197584
PubChem ID:58655
Update Time:2025-04-19
1H-Indol-5-ol,3-(2,3-diaminopropyl)-, hydrochloride (1:2) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indol-5-ol,3-(2,3-diaminopropyl)-, hydrochloride (1:2)
- [1-azaniumyl-3-(5-hydroxy-1H-indol-3-yl)propan-2-yl]azanium,dichloride
- 101651-85-8
- INDOL-5-OL, 3-(2,3-DIAMINOPROPYL)-, DIHYDROCHLORIDE
- 3-(2,3-Diaminopropyl)indol-5-ol dihydrochloride
- L-alpha-Aminomethyl-5-hydroxytryptamine dihydrochloride
-
- Inchi： 1S/C11H15N3O.2ClH/c12-5-8(13)3-7-6-14-11-2-1-9(15)4-10(7)11;;/h1-2,4,6,8,14-15H,3,5,12-13H2;2*1H
- InChI Key： BXNWABUECHMRPZ-UHFFFAOYSA-N
- SMILES： [Cl-].[Cl-].OC1C=CC2=C(C=1)C(=CN2)CC(C[NH3+])[NH3+]
Computed Properties
- Exact Mass: 259.942
- Monoisotopic Mass: 277.075
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 212
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 91.3A^2
Experimental Properties
- Boiling Point: 490.6°Cat760mmHg
- Flash Point: 250.5°C
- PSA: 77.39
- LogP: 3.70660
1H-Indol-5-ol,3-(2,3-diaminopropyl)-, hydrochloride (1:2) Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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