Cas no 167276-67-7 (Heptanediimidamide)
Heptanediimidamide structure
Product Name:Heptanediimidamide
CAS No:167276-67-7
MF:C7H16N4
MW:156.228740692139
CID:110895
PubChem ID:4612841
Update Time:2025-04-18
Heptanediimidamide Chemical and Physical Properties
Names and Identifiers
-
- Heptanediimidamide
- 1,5-DIAMIDINOPENTANE
- (1Z,7E)-heptanediimidamide
- CHEMBL104907
- 167276-67-7
- DTXSID40404881
- AKOS006295193
- BDBM50032507
-
- Inchi： 1S/C7H16N4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H3,8,9)(H3,10,11)
- InChI Key： BDXJXNZKZVXYJA-UHFFFAOYSA-N
- SMILES： NC(CCCCCC(=N)N)=N
Computed Properties
- Exact Mass: 156.13768
- Monoisotopic Mass: 156.137
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 125
- 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: 99.7A^2
- XLogP3: -0.6
Experimental Properties
- Density: 1.18
- Boiling Point: 285.2°Cat760mmHg
- Flash Point: 126.3°C
- Refractive Index: 1.555
- PSA: 99.74
Heptanediimidamide Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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