Cas no 104830-21-9 (1H-Isoindol-3-amine,1-imino-N-(4-methylphenyl)-)
104830-21-9 structure
Product Name:1H-Isoindol-3-amine,1-imino-N-(4-methylphenyl)-
CAS No:104830-21-9
MF:C15H13N3
MW:235.283822774887
CID:126483
PubChem ID:705532
Update Time:2025-04-18
1H-Isoindol-3-amine,1-imino-N-(4-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Isoindol-3-amine,1-imino-N-(4-methylphenyl)-
- (1Z)-1-[(4-methylphenyl)imino]-1H-isoindol-3-amine
- 3-(4-methylphenyl)iminoisoindol-1-amine
- AP-906/14180855
- DTXSID70351632
- SR-01000082125
- SR-01000082125-1
- AKOS001638759
- AKOS003002250
- N-(3-amino-1H-isoindol-1-ylidene)-N-(4-methylphenyl)amine
- 3-amino-1-(4-methylphenyl)imino-1h-isoindole
- (1Z)-N1-(4-METHYLPHENYL)-2,3-DIHYDRO-1H-ISOINDOLE-1,3-DIIMINE
- HMS1612L19
- 104830-21-9
-
- Inchi： 1S/C15H13N3/c1-10-6-8-11(9-7-10)17-15-13-5-3-2-4-12(13)14(16)18-15/h2-9H,1H3,(H2,16,17,18)
- InChI Key： CYUAYNFKQWLQDD-UHFFFAOYSA-N
- SMILES： N1=C(C2C=CC=CC=2/C/1=N/C1C=CC(C)=CC=1)N
Computed Properties
- Exact Mass: 235.11109
- Monoisotopic Mass: 235.110947427g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 364
- 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
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: 2.6
- Topological Polar Surface Area: 50.7?2
Experimental Properties
- PSA: 51.27
- LogP: 2.80100
1H-Isoindol-3-amine,1-imino-N-(4-methylphenyl)- Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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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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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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