Cas no 40451-47-6 (3H-Cyclohepta[1,2-d:4,5-d']diimidazole-2,6-diamine,N6,N6,3,4-tetramethyl- (9CI))
![3H-Cyclohepta[1,2-d:4,5-d']diimidazole-2,6-diamine,N6,N6,3,4-tetramethyl- (9CI) structure](https://ossimg.kuujia.com/scimg/40500/40451-47-6x500.png)
40451-47-6 structure
Product Name:3H-Cyclohepta[1,2-d:4,5-d']diimidazole-2,6-diamine,N6,N6,3,4-tetramethyl- (9CI)
CAS No:40451-47-6
MF:C13H16N6
MW:256.306341171265
CID:332062
PubChem ID:38474
Update Time:2025-04-19
3H-Cyclohepta[1,2-d:4,5-d']diimidazole-2,6-diamine,N6,N6,3,4-tetramethyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 3H-Cyclohepta[1,2-d:4,5-d']diimidazole-2,6-diamine,N6,N6,3,4-tetramethyl- (9CI)
- Zoanthoxanthine
- zoanthoxantin
- 40451-47-6
- 9-N,9-N,5,7-tetramethyl-3,5,11,13-tetrazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,7,9,11-hexaene-4,9-diamine
- N(6),N(6),3,4-Tetramethyl-3H-cyclohepta(1,2-d:4,5-d')diimidazole-2,6-diamine
- BRN 1222242
- DTXSID60193467
-
- Inchi： 1S/C13H16N6/c1-7-5-8(18(2)3)9-10(16-6-15-9)11-12(7)19(4)13(14)17-11/h5-6H,1-4H3,(H2,14,17)
- InChI Key： WOYJUCXCGYYVSH-UHFFFAOYSA-N
- SMILES： N1(C)C(N)=NC2C3C(=C(C=C(C)C1=2)N(C)C)N=CN=3
Computed Properties
- Exact Mass: 256.143645
- Monoisotopic Mass: 256.143645
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 335
- 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
- Topological Polar Surface Area: 72.9
- XLogP3: 0.9
Experimental Properties
- Density: 1.38
- Boiling Point: 459.9°C at 760 mmHg
- Flash Point: 231.9°C
- Refractive Index: 1.717
3H-Cyclohepta[1,2-d:4,5-d']diimidazole-2,6-diamine,N6,N6,3,4-tetramethyl- (9CI) Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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