Cas no 57246-71-6 (Pentanimidic acid, methyl ester)
57246-71-6 structure
Product Name:Pentanimidic acid, methyl ester
CAS No:57246-71-6
MF:C6H13NO
MW:115.173521757126
CID:346035
PubChem ID:5743466
Update Time:2025-04-19
Pentanimidic acid, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanimidic acid, methyl ester
- methyl pentanimidate
- 1-methoxy-pentylidene-amine
- methyl pentanimidoate
- methyl valerimidate
- Pentylimido-methylester
- Valerimidsaeure-methylester
- METHYL PENTANECARBOXIMIDATE
- 57246-71-6
- pentanimidic acid methyl ester
- AKOS017405242
- SCHEMBL7221289
- DTXSID80420883
- DIFSGQKADHEBAI-UHFFFAOYSA-N
- methylpentanimidate
-
- Inchi： 1S/C6H13NO/c1-3-4-5-6(7)8-2/h7H,3-5H2,1-2H3
- InChI Key： DIFSGQKADHEBAI-UHFFFAOYSA-N
- SMILES： O(C)C(CCCC)=N
Computed Properties
- Exact Mass: 115.10000
- Monoisotopic Mass: 115.099714038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 4
- Complexity: 70.9
- 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: 1.6
- Topological Polar Surface Area: 33.1?2
Experimental Properties
- PSA: 33.08000
- LogP: 1.90000
Pentanimidic acid, methyl ester Related Literature
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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