Cas no 6028-02-0 (HARMINE HYDROCHLORIDE DIHYDRATE)
6028-02-0 structure
Product Name:HARMINE HYDROCHLORIDE DIHYDRATE
CAS No:6028-02-0
MF:C13H17ClN2O3
MW:284.738682508469
CID:951555
PubChem ID:18530346
Update Time:2025-04-19
HARMINE HYDROCHLORIDE DIHYDRATE Chemical and Physical Properties
Names and Identifiers
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- HARMINE HYDROCHLORIDE DIHYDRATE
- 6028-02-0
- AKOS024371062
-
- Inchi： 1S/C13H12N2O.ClH.2H2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13;;;/h3-7,15H,1-2H3;1H;2*1H2
- InChI Key： WMTAXLOYEDMIGF-UHFFFAOYSA-N
- SMILES： Cl.O(C)C1C=CC2=C(C=1)NC1C(C)=NC=CC2=1.O.O
Computed Properties
- Exact Mass: 284.09291
- Monoisotopic Mass: 284.0927701g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 258
- Covalently-Bonded Unit Count: 4
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 39.9?2
Experimental Properties
- PSA: 100.91
HARMINE HYDROCHLORIDE DIHYDRATE Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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