Cas no 28740-82-1 (Pyrrolo[1,2,3-ef]-1,5-benzodiazepine,1,2,3,4,6,7-hexahydro-, hydrochloride (1:2))
![Pyrrolo[1,2,3-ef]-1,5-benzodiazepine,1,2,3,4,6,7-hexahydro-, hydrochloride (1:2) structure](https://ossimg.kuujia.com/scimg/29000/28740-82-1x500.png)
28740-82-1 structure
Product Name:Pyrrolo[1,2,3-ef]-1,5-benzodiazepine,1,2,3,4,6,7-hexahydro-, hydrochloride (1:2)
CAS No:28740-82-1
MF:C11H16Cl2N2
MW:247.164140701294
CID:281998
PubChem ID:206815
Update Time:2025-04-19
Pyrrolo[1,2,3-ef]-1,5-benzodiazepine,1,2,3,4,6,7-hexahydro-, hydrochloride (1:2) Chemical and Physical Properties
Names and Identifiers
-
- Pyrrolo[1,2,3-ef]-1,5-benzodiazepine,1,2,3,4,6,7-hexahydro-, hydrochloride (1:2)
- 1,2,4,5,6,7-Hexahydropyrrolo(1,2,3-ef)(1,5)benzodiazepine dihydrochloride
- AC1L4HE3
- LS-139200
- Pyrrolo(1,2,3-ef)(1,5)benzodiazepine, 1,2,4,5,6,7-hexahydro-, dihydrochloride
- 28740-82-1
- DTXSID10182907
-
- Inchi： 1S/C11H14N2.2ClH/c1-3-9-5-8-13-7-2-6-12-10(4-1)11(9)13;;/h1,3-4,12H,2,5-8H2;2*1H
- InChI Key： JSNSNNLDACBGSH-UHFFFAOYSA-N
- SMILES： Cl.Cl.N12CCCNC3C=CC=C(CC1)C2=3
Computed Properties
- Exact Mass: 246.06900
- Monoisotopic Mass: 246.0690539g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 193
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 15.3?2
Experimental Properties
- PSA: 15.27000
- LogP: 3.67170
Pyrrolo[1,2,3-ef]-1,5-benzodiazepine,1,2,3,4,6,7-hexahydro-, hydrochloride (1:2) Related Literature
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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