Cas no 164648-44-6 (Benzenemethanamine, 4-amino-3,5-dibromo-)
164648-44-6 structure
Product Name:Benzenemethanamine, 4-amino-3,5-dibromo-
CAS No:164648-44-6
MF:C7H8Br2N2
MW:279.959819793701
CID:1344822
PubChem ID:18975985
Update Time:2025-04-20
Benzenemethanamine, 4-amino-3,5-dibromo- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanamine, 4-amino-3,5-dibromo-
- 164648-44-6
- 4-Amino-3,5-dibromobenzenemethanamine
- DTXSID301285438
- SCHEMBL8126726
-
- Inchi： 1S/C7H8Br2N2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2H,3,10-11H2
- InChI Key： OWXPXVJCAUIIAO-UHFFFAOYSA-N
- SMILES： BrC1C(=C(C=C(C=1)CN)Br)N
Computed Properties
- Exact Mass: 277.90544
- Monoisotopic Mass: 277.90542g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 120
- 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: 1.5
- Topological Polar Surface Area: 52?2
Experimental Properties
- PSA: 52.04
Benzenemethanamine, 4-amino-3,5-dibromo- Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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