Cas no 500734-86-1 (1H-Pyrrole-2-carboxamide, N-(6-aminohexyl)-)
500734-86-1 structure
Product Name:1H-Pyrrole-2-carboxamide, N-(6-aminohexyl)-
CAS No:500734-86-1
MF:C11H19N3O
MW:209.288062334061
CID:1547993
PubChem ID:71366839
Update Time:2025-04-21
1H-Pyrrole-2-carboxamide, N-(6-aminohexyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-2-carboxamide, N-(6-aminohexyl)-
- N-(6-aminohexyl)-1H-pyrrole-2-carboxamide
- DTXSID30790189
- 500734-86-1
-
- Inchi： 1S/C11H19N3O/c12-7-3-1-2-4-8-14-11(15)10-6-5-9-13-10/h5-6,9,13H,1-4,7-8,12H2,(H,14,15)
- InChI Key： IWEXTOWSPACJNS-UHFFFAOYSA-N
- SMILES： O=C(C1=CC=CN1)NCCCCCCN
Computed Properties
- Exact Mass: 209.15297
- Monoisotopic Mass: 209.152812238g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 7
- Complexity: 185
- 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: 0.8
- Topological Polar Surface Area: 70.9?2
Experimental Properties
- PSA: 70.91
1H-Pyrrole-2-carboxamide, N-(6-aminohexyl)- Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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