Cas no 7403-80-7 ( )
structure
Product Name:
CAS No:7403-80-7
MF:C10H11ClN4
MW:222.67414021492
CID:978884
PubChem ID:345655
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- 6-chloro-2-N,2-N-dimethylquinazoline-2,4-diamine
- AC1L838T
- NSC403384
- NSC-403384
- DTXSID00323221
- 6-Chloro-N~2~,N~2~-dimethylquinazoline-2,4-diamine
- 7403-80-7
-
-
- Inchi: 1S/C10H11ClN4/c1-15(2)10-13-8-4-3-6(11)5-7(8)9(12)14-10/h3-5H,1-2H3,(H2,12,13,14)
- InChI Key: WZGMTDMGQVKSTO-UHFFFAOYSA-N
- SMILES: ClC1C=CC2C(C=1)=C(N)N=C(N=2)N(C)C
Computed Properties
- Exact Mass: 222.06743
- Monoisotopic Mass: 222.0672241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 224
- 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: 2.4
- Topological Polar Surface Area: 55?2
Experimental Properties
- Density: 1.372
- Boiling Point: 415.9°C at 760 mmHg
- Flash Point: 205.4°C
- Refractive Index: 1.714
- PSA: 55.04
- LogP: 2.51260
Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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