Cas no 100841-09-6 (Benzoic acid,4-[(3-aminopropyl)amino]-)
![Benzoic acid,4-[(3-aminopropyl)amino]- structure](https://ossimg.kuujia.com/scimg/101000/100841-09-6x500.png)
100841-09-6 structure
Product Name:Benzoic acid,4-[(3-aminopropyl)amino]-
CAS No:100841-09-6
MF:C10H14N2O2
MW:194.230362415314
CID:124255
PubChem ID:45089332
Update Time:2025-04-18
Benzoic acid,4-[(3-aminopropyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-[(3-aminopropyl)amino]-
- Benzoic acid, 4-[(3-aminopropyl)amino]- (9CI)
- 4-[(3-Aminopropyl)amino]benzoic acid
- 100841-09-6
- 4-((3-Aminopropyl)amino)benzoic acid
- AKOS011558017
-
- Inchi： 1S/C10H14N2O2/c11-6-1-7-12-9-4-2-8(3-5-9)10(13)14/h2-5,12H,1,6-7,11H2,(H,13,14)
- InChI Key： UAVGAUVJWLRLSQ-UHFFFAOYSA-N
- SMILES： OC(C1C=CC(=CC=1)NCCCN)=O
Computed Properties
- Exact Mass: 194.10562
- Monoisotopic Mass: 194.106
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 177
- 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
- Topological Polar Surface Area: 75.4A^2
- XLogP3: -0.9
Experimental Properties
- PSA: 75.35
Benzoic acid,4-[(3-aminopropyl)amino]- Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
100841-09-6 (Benzoic acid,4-[(3-aminopropyl)amino]-) Related Products
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