Cas no 55467-98-6 (Propanenitrile, 3-[(8-amino-1-naphthalenyl)amino]-)
![Propanenitrile, 3-[(8-amino-1-naphthalenyl)amino]- structure](https://ossimg.kuujia.com/scimg/55500/55467-98-6x500.png)
55467-98-6 structure
Product Name:Propanenitrile, 3-[(8-amino-1-naphthalenyl)amino]-
CAS No:55467-98-6
MF:C13H13N3
MW:211.262422323227
CID:351832
PubChem ID:71364155
Update Time:2025-04-19
Propanenitrile, 3-[(8-amino-1-naphthalenyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- Propanenitrile, 3-[(8-amino-1-naphthalenyl)amino]-
- 3-[(8-aminonaphthalen-1-yl)amino]propanenitrile
- 55467-98-6
- DTXSID50787637
-
- Inchi： 1S/C13H13N3/c14-8-3-9-16-12-7-2-5-10-4-1-6-11(15)13(10)12/h1-2,4-7,16H,3,9,15H2
- InChI Key： UKCFDFUCKBOCQY-UHFFFAOYSA-N
- SMILES： N(CCC#N)C1C=CC=C2C=CC=C(C=12)N
Computed Properties
- Exact Mass: 211.11109
- Monoisotopic Mass: 211.110947427g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 268
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 61.8?2
Experimental Properties
- PSA: 61.84
Propanenitrile, 3-[(8-amino-1-naphthalenyl)amino]- Related Literature
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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