Cas no 13679-79-3 (1H-Pyrrole, 1-(3-methylbutyl)-)
13679-79-3 structure
Product Name:1H-Pyrrole, 1-(3-methylbutyl)-
CAS No:13679-79-3
MF:C9H15N
MW:137.222102403641
CID:1242355
PubChem ID:19863974
Update Time:2025-04-20
1H-Pyrrole, 1-(3-methylbutyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole, 1-(3-methylbutyl)-
- 1-(3-methyl-butyl)-pyrrole
- AKOS008965272
- 7EWI965J68
- 1-(3-methylbutyl)pyrrole
- QNFYLUDPMZVIOW-UHFFFAOYSA-N
- UNII-7EWI965J68
- 13679-79-3
- SCHEMBL278637
- N-(3-methylbutyl)pyrrole
- N-Isoamylpyrrole
- 1-(3-methylbutyl)-1H-pyrrole
-
- Inchi： 1S/C9H15N/c1-9(2)5-8-10-6-3-4-7-10/h3-4,6-7,9H,5,8H2,1-2H3
- InChI Key： QNFYLUDPMZVIOW-UHFFFAOYSA-N
- SMILES： N1(C=CC=C1)CCC(C)C
Computed Properties
- Exact Mass: 137.120449483g/mol
- Monoisotopic Mass: 137.120449483g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 82.7
- 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: 2.3
- Topological Polar Surface Area: 4.9?2
1H-Pyrrole, 1-(3-methylbutyl)- Related Literature
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
13679-79-3 (1H-Pyrrole, 1-(3-methylbutyl)-) Related Products
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- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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