Cas no 237429-65-1 (1H-Benzimidazole-6-carbonitrile,2-(2-aminoethyl)-)
237429-65-1 structure
Product Name:1H-Benzimidazole-6-carbonitrile,2-(2-aminoethyl)-
CAS No:237429-65-1
MF:C10H10N4
MW:186.21320104599
CID:245497
PubChem ID:22459205
Update Time:2025-04-19
1H-Benzimidazole-6-carbonitrile,2-(2-aminoethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole-6-carbonitrile,2-(2-aminoethyl)-
- 1H-Benzimidazole-5-carbonitrile,2-(2-aminoethyl)- (9CI)
- 2-(2-aminoethyl)-3H-benzimidazole-5-carbonitrile
- 2-(2-aminoethyl)-1H-benzo[d]imidazole-5-carbonitrile
- AB60680
- 1H-Benzimidazole-5-carbonitrile,2-(2-aminoethyl)-(9CI)
- 237429-65-1
- SCHEMBL7655130
- AKOS006302513
- 2-(2-AMINOETHYL)-1H-1,3-BENZODIAZOLE-6-CARBONITRILE
-
- Inchi： 1S/C10H10N4/c11-4-3-10-13-8-2-1-7(6-12)5-9(8)14-10/h1-2,5H,3-4,11H2,(H,13,14)
- InChI Key： QWJIEYFYJVDCSP-UHFFFAOYSA-N
- SMILES： N1C2C=C(C#N)C=CC=2N=C1CCN
Computed Properties
- Exact Mass: 186.0907
- Monoisotopic Mass: 186.090546336g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 244
- 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: 1
- Topological Polar Surface Area: 78.5?2
Experimental Properties
- PSA: 78.49
1H-Benzimidazole-6-carbonitrile,2-(2-aminoethyl)- Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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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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