Cas no 176679-54-2 (Pentacyclo[4.3.0.02,5.03,8.04,7]nonane-2,4-diamine(9CI))
![Pentacyclo[4.3.0.02,5.03,8.04,7]nonane-2,4-diamine(9CI) structure](https://ossimg.kuujia.com/scimg/177000/176679-54-2x500.png)
176679-54-2 structure
Product Name:Pentacyclo[4.3.0.02,5.03,8.04,7]nonane-2,4-diamine(9CI)
CAS No:176679-54-2
MF:C9H12N2
MW:148.204981803894
CID:112428
PubChem ID:15760616
Update Time:2025-04-18
Pentacyclo[4.3.0.02,5.03,8.04,7]nonane-2,4-diamine(9CI) Chemical and Physical Properties
Names and Identifiers
-
- Pentacyclo[4.3.0.02,5.03,8.04,7]nonane-2,4-diamine(9CI)
- Pentacyclo[4.3.0.02,5.03,8.04,7]nonane-2,4-diamine (9CI)
- Pentacyclo[4.3.0.0~2,5~.0~3,8~.0~4,7~]nonane-2,4-diamine
- PENTACYCLO[4.3.0.02,5.03,8.04,7]NONANE-2,4-DIAMINE
- 176679-54-2
- DTXSID10578063
-
- Inchi： 1S/C9H12N2/c10-8-3-1-2-5-4(3)7(8)9(5,11)6(2)8/h2-7H,1,10-11H2
- InChI Key： UDPHPIJCPBFBTN-UHFFFAOYSA-N
- SMILES： NC12C3C4CC5C3C1C5(C24)N
Computed Properties
- Exact Mass: 148.10016
- Monoisotopic Mass: 148.100048391g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 315
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 8
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.1
- Topological Polar Surface Area: 52?2
Experimental Properties
- PSA: 52.04
Pentacyclo[4.3.0.02,5.03,8.04,7]nonane-2,4-diamine(9CI) Related Literature
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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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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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