Cas no 75681-61-7 (4-(heptylamino)benzoic acid)
4-(heptylamino)benzoic acid structure
Product Name:4-(heptylamino)benzoic acid
CAS No:75681-61-7
MF:C14H21NO2
MW:235.32204413414
CID:981960
PubChem ID:283545
Update Time:2025-04-19
4-(heptylamino)benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-(heptylamino)benzoic acid
- 75681-61-7
- NSC138407
- SCHEMBL22398313
- NSC-138407
- DTXSID30300702
- DS-014586
-
- Inchi： 1S/C14H21NO2/c1-2-3-4-5-6-11-15-13-9-7-12(8-10-13)14(16)17/h7-10,15H,2-6,11H2,1H3,(H,16,17)
- InChI Key： GJJAFTIJCDERTI-UHFFFAOYSA-N
- SMILES： OC(C1C=CC(=CC=1)NCCCCCCC)=O
Computed Properties
- Exact Mass: 235.157228913g/mol
- Monoisotopic Mass: 235.157228913g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 8
- Complexity: 210
- 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: 4.3
- Topological Polar Surface Area: 49.3?2
4-(heptylamino)benzoic acid Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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