Cas no 75681-60-6 (4-(pentylamino)benzoic Acid)
4-(pentylamino)benzoic Acid structure
Product Name:4-(pentylamino)benzoic Acid
CAS No:75681-60-6
MF:C12H17NO2
MW:207.268883466721
CID:981959
PubChem ID:283552
Update Time:2025-04-19
4-(pentylamino)benzoic Acid Chemical and Physical Properties
Names and Identifiers
-
- 4-(pentylamino)benzoic Acid
- 4-N,N-butylmethylaminobenzoic acid
- 4-Pentylaminobenzoesaeure
- 4-Pentylamino-benzoesaeure
- 4-pentylamino-benzoic acid
- AC1L5YVV
- AG-J-29345
- AR-1F7197
- CTK5E1870
- NSC138416
- SureCN2825925
- DTXSID50300704
- NSC-138416
- SCHEMBL2825925
- 75681-60-6
- DS-014590
-
- Inchi： 1S/C12H17NO2/c1-2-3-4-9-13-11-7-5-10(6-8-11)12(14)15/h5-8,13H,2-4,9H2,1H3,(H,14,15)
- InChI Key： PEIGTVJQKKVZSK-UHFFFAOYSA-N
- SMILES： OC(C1C=CC(=CC=1)NCCCCC)=O
Computed Properties
- Exact Mass: 207.12601
- Monoisotopic Mass: 207.125928785g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 186
- 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: 3.8
- Topological Polar Surface Area: 49.3?2
Experimental Properties
- PSA: 49.33
4-(pentylamino)benzoic Acid Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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