Cas no 6943-06-2 (1H-Indole-2-carboxylicacid, 6-pentyl-)
6943-06-2 structure
Product Name:1H-Indole-2-carboxylicacid, 6-pentyl-
CAS No:6943-06-2
MF:C14H17NO2
MW:231.290283918381
CID:519951
PubChem ID:242761
Update Time:2025-04-19
1H-Indole-2-carboxylicacid, 6-pentyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-2-carboxylicacid, 6-pentyl-
- AC1Q5UQ4; AR-1H2515; CTK2F8025; 6-Pentyl-indol-2-carbonsaeure; SureCN7881816; NSC51636; AC1L6A5B; 6-pentyl-indole-2-carboxylic acid;
- DTXSID90287580
- 6943-06-2
- NSC51636
- 6-pentyl-1h-indole-2-carboxylic acid
- SCHEMBL7881816
- NSC-51636
-
- Inchi： 1S/C14H17NO2/c1-2-3-4-5-10-6-7-11-9-13(14(16)17)15-12(11)8-10/h6-9,15H,2-5H2,1H3,(H,16,17)
- InChI Key： PJFXZUIDBUPTHM-UHFFFAOYSA-N
- SMILES： OC(C1=CC2=CC=C(C=C2N1)CCCCC)=O
Computed Properties
- Exact Mass: 231.12601
- Monoisotopic Mass: 231.126
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 267
- 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: 4.7
- Topological Polar Surface Area: 53.1?2
Experimental Properties
- Density: 1.175
- Boiling Point: 442.3°C at 760 mmHg
- Flash Point: 221.3°C
- Refractive Index: 1.617
- PSA: 53.09
- LogP: 3.59880
1H-Indole-2-carboxylicacid, 6-pentyl- Related Literature
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
-
R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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