Cas no 911426-09-0 (Benzenemethanamine, 3,5-dibromo-a-methyl-, (aS)-)
911426-09-0 structure
Product Name:Benzenemethanamine, 3,5-dibromo-a-methyl-, (aS)-
CAS No:911426-09-0
MF:C8H9Br2N
MW:278.971760511398
CID:803220
PubChem ID:69206016
Update Time:2023-10-31
Benzenemethanamine, 3,5-dibromo-a-methyl-, (aS)- Chemical and Physical Properties
Names and Identifiers
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- Benzenemethanamine, 3,5-dibromo-a-methyl-, (aS)-
- BENZENEMETHANAMINE, 3,5-DIBROMO-Α-METHYL-, (ΑS)-
- Benzenemethanamine, 3,5-dibromo--methyl-, (S)-
- Benzenemethanamine,3,5-dibromo-a-methyl-,(aS)-
- (S)-1-(3,5-Dibromophenyl)ethan-1-amine
- 911426-09-0
- SCHEMBL4826929
- DTXSID901260460
- (alphaS)-3,5-Dibromo-alpha-methylbenzenemethanamine
- (aS)-3,5-Dibromo-a-methyl-benzenemethanamine
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- Inchi： 1S/C8H9Br2N/c1-5(11)6-2-7(9)4-8(10)3-6/h2-5H,11H2,1H3/t5-/m0/s1
- InChI Key： DWZJEVRHNGHMTL-YFKPBYRVSA-N
- SMILES： BrC1C=C(C=C(C=1)[C@H](C)N)Br
Computed Properties
- Exact Mass: 278.90813g/mol
- Monoisotopic Mass: 276.91017g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 119
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 26?2
Benzenemethanamine, 3,5-dibromo-a-methyl-, (aS)- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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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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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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