Cas no 139444-38-5 (Benzenesulfonic acid, 5-amino-2-(aminomethyl)-)
139444-38-5 structure
Product Name:Benzenesulfonic acid, 5-amino-2-(aminomethyl)-
CAS No:139444-38-5
MF:C7H10N2O3S
MW:202.230900287628
CID:1287833
PubChem ID:22616952
Update Time:2025-04-20
Benzenesulfonic acid, 5-amino-2-(aminomethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonic acid, 5-amino-2-(aminomethyl)-
- 5-amino-2-(aminomethyl)benzenesulfonic acid
- SCHEMBL7718118
- 5-Amino-2-(aminomethyl)benzene-1-sulfonic acid
- 139444-38-5
- DTXSID00626966
-
- Inchi： 1S/C7H10N2O3S/c8-4-5-1-2-6(9)3-7(5)13(10,11)12/h1-3H,4,8-9H2,(H,10,11,12)
- InChI Key： WVRFOWUCHMXFRU-UHFFFAOYSA-N
- SMILES： S(C1C=C(C=CC=1CN)N)(=O)(=O)O
Computed Properties
- Exact Mass: 202.0413
- Monoisotopic Mass: 202.04121336g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 259
- 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: -3.4
- Topological Polar Surface Area: 115?2
Experimental Properties
- PSA: 106.41
Benzenesulfonic acid, 5-amino-2-(aminomethyl)- 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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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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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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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
139444-38-5 (Benzenesulfonic acid, 5-amino-2-(aminomethyl)-) Related Products
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