Cas no 6974-91-0 (1H-Pyrrole-3,4-dimethanamine,N3,N4,2,5-tetramethyl-)
6974-91-0 structure
Product Name:1H-Pyrrole-3,4-dimethanamine,N3,N4,2,5-tetramethyl-
CAS No:6974-91-0
MF:C10H19N3
MW:181.277961969376
CID:519492
PubChem ID:228870
Update Time:2025-04-19
1H-Pyrrole-3,4-dimethanamine,N3,N4,2,5-tetramethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-3,4-dimethanamine,N3,N4,2,5-tetramethyl-
- 6974-91-0
- DTXSID30989910
- NSC22038
- N,N'-[(2,5-Dimethyl-1H-pyrrole-3,4-diyl)bis(methylene)]dimethanamine
- NSC-22038
-
- Inchi： 1S/C10H19N3/c1-7-9(5-11-3)10(6-12-4)8(2)13-7/h11-13H,5-6H2,1-4H3
- InChI Key： AKPKIFUMNXWWAR-UHFFFAOYSA-N
- SMILES： N1C(C)=C(CNC)C(CNC)=C1C
Computed Properties
- Exact Mass: 181.15807
- Monoisotopic Mass: 181.157897619g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 133
- 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: 0.2
- Topological Polar Surface Area: 39.8?2
Experimental Properties
- PSA: 39.85
- LogP: 1.85210
1H-Pyrrole-3,4-dimethanamine,N3,N4,2,5-tetramethyl- Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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