Cas no 111875-81-1 (4-(nonylamino)-4-oxobutanoic acid)
111875-81-1 structure
Product Name:4-(nonylamino)-4-oxobutanoic acid
CAS No:111875-81-1
MF:C13H25NO3
MW:243.342504262924
CID:2607504
PubChem ID:454082
Update Time:2025-04-21
4-(nonylamino)-4-oxobutanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-(nonylamino)-4-oxobutanoic acid
- 4-nonylamino-4-oxobutyric acid
- 3NonNHCO prop acid
- DTXSID70332385
- 3-(Nonylaminocarbonyl)propionic acid
- 4-(nonylamino)-4-oxo-butanoic acid
- 111875-81-1
- TUEUEHBVNSTCIN-UHFFFAOYSA-N
- Butanoic acid, 4-(nonylamino)-4-oxo-
- AKOS003847671
- AMD4/5
- SCHEMBL10686810
- DB-205263
-
- Inchi: 1S/C13H25NO3/c1-2-3-4-5-6-7-8-11-14-12(15)9-10-13(16)17/h2-11H2,1H3,(H,14,15)(H,16,17)
- InChI Key: TUEUEHBVNSTCIN-UHFFFAOYSA-N
- SMILES: O=C(CCC(=O)O)NCCCCCCCCC
Computed Properties
- Exact Mass: 243.18344366Da
- Monoisotopic Mass: 243.18344366Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 11
- Complexity: 217
- 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: 2.9
- Topological Polar Surface Area: 66.4?2
4-(nonylamino)-4-oxobutanoic acid 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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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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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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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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