Cas no 80323-49-5 (Heptanediamide,2,6-bis(methylene)-)
80323-49-5 structure
Product Name:Heptanediamide,2,6-bis(methylene)-
CAS No:80323-49-5
MF:C9H14N2O2
MW:182.219662189484
CID:731108
PubChem ID:261821
Update Time:2025-04-19
Heptanediamide,2,6-bis(methylene)- Chemical and Physical Properties
Names and Identifiers
-
- Heptanediamide,2,6-bis(methylene)-
- 2,6-dimethylideneheptanediamide
- DTXSID10294150
- SCHEMBL731106
- NSC94788
- 80323-49-5
- NSC-94788
-
- Inchi: 1S/C9H14N2O2/c1-6(8(10)12)4-3-5-7(2)9(11)13/h1-5H2,(H2,10,12)(H2,11,13)
- InChI Key: SNZQLNZFVFZWMU-UHFFFAOYSA-N
- SMILES: O=C(C(=C)CCCC(=C)C(N)=O)N
Computed Properties
- Exact Mass: 182.105527694g/mol
- Monoisotopic Mass: 182.105527694g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 6
- Complexity: 230
- 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: 0.3
- Topological Polar Surface Area: 86.2?2
Heptanediamide,2,6-bis(methylene)- Related Literature
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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