Cas no 53462-81-0 (4-methyl-1,3,4,5-tetrahydropyrrolo[4,3,2-de]isoquinoline hydrochloride)
![4-methyl-1,3,4,5-tetrahydropyrrolo[4,3,2-de]isoquinoline hydrochloride structure](https://ossimg.kuujia.com/scimg/53500/53462-81-0x500.png)
53462-81-0 structure
Product Name:4-methyl-1,3,4,5-tetrahydropyrrolo[4,3,2-de]isoquinoline hydrochloride
CAS No:53462-81-0
MF:C11H13ClN2
MW:208.687321424484
CID:1583743
PubChem ID:3041106
Update Time:2025-04-21
4-methyl-1,3,4,5-tetrahydropyrrolo[4,3,2-de]isoquinoline hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- 4-methyl-1,3,4,5-tetrahydropyrrolo[4,3,2-de]isoquinoline hydrochloride
- 4-Methyl-1,3,4,5-tetrahydropyrrolo(4,3,2-de)isoquinoline hydrochloride
- 53462-81-0
- DTXSID40201650
- Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-4-methyl-, monohydrochloride
- SCHEMBL11858233
- 1,3,4,5-Tetrahydro-4-methyl-pyrrolo(4,3,2-de)isoquinoline hydrochloride
-
- Inchi： 1S/C11H12N2.ClH/c1-13-6-8-3-2-4-10-11(8)9(7-13)5-12-10;/h2-5,12H,6-7H2,1H3;1H
- InChI Key： QTVCZLQATABPQD-UHFFFAOYSA-N
- SMILES： Cl.N1(C)CC2C=CC=C3C=2C(=CN3)C1
Computed Properties
- Exact Mass: 208.07689
- Monoisotopic Mass: 208.0767261g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 204
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 19?2
Experimental Properties
- PSA: 19.03
4-methyl-1,3,4,5-tetrahydropyrrolo[4,3,2-de]isoquinoline hydrochloride Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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