Cas no 104083-77-4 (Phenol,2-amino-5-(2-aminoethyl)-)
104083-77-4 structure
Product Name:Phenol,2-amino-5-(2-aminoethyl)-
CAS No:104083-77-4
MF:C8H12N2O
MW:152.193681716919
CID:160023
PubChem ID:128493
Update Time:2025-04-19
Phenol,2-amino-5-(2-aminoethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Phenol,2-amino-5-(2-aminoethyl)-
- 2-amino-5-(2-aminoethyl)phenol
- 4-amino-3-hydroxyphenylethylamine
- AC1L2TW3
- ACMC-20m6v2
- AHPEA
- CTK4A2665
- SCHEMBL10409135
- 104083-77-4
- DTXSID30146248
- Phenol, 2-amino-5-(2-aminoethyl)-
-
- Inchi： 1S/C8H12N2O/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,11H,3-4,9-10H2
- InChI Key： IUAIZBWUVPEDFW-UHFFFAOYSA-N
- SMILES： OC1=C(C=CC(=C1)CCN)N
Computed Properties
- Exact Mass: 152.09506
- Monoisotopic Mass: 152.094963011g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 119
- 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
- Surface Charge: 0
- Tautomer Count: 15
- XLogP3: nothing
- Topological Polar Surface Area: 72.3?2
Experimental Properties
- PSA: 72.27
Phenol,2-amino-5-(2-aminoethyl)- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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