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1 Gram |
Negotiable |
bromo-dihydrido-trimethylammonio-boron 5275-42-3 98%
Identification and Related Records
【Name】
bromo(N,N-dimethylmethanamine)dihydridoboron
【CAS Registry number】
5275-42-3
【Molecular Formula】
C3H11BBrN (Products with the same molecular formula)
【Molecular Weight】
151.8411
【Inchi】
InChI=1/C3H11BBrN/c1-6(2,3)4-5/h4H2,1-3H3
【Canonical SMILES】
CCCCCCCCC=CCCCCCCCC(=O)NCC[N+]1(CCCCC1)C.COS(=O)(=O)[O-]
【Isomers smiles】
CCCCCCCCC=CCCCCCCCC(=O)NCC[N+]1(CCCCC1)C.COS(=O)(=O)[O-]
【MOL File】
5275-42-3.mol
Chemical and Physical Properties
【Density】
g/cm3
【Boiling Point】
°Cat760mmHg
【Flash Point】
°C
【Computed Properties】
Molecular Weight:518.79306 [g/mol]
Molecular Formula:C27H54N2O5S
H-Bond Donor:1
H-Bond Acceptor:5
Rotatable Bond Count:18
Tautomer Count:2
Exact Mass:518.375344
MonoIsotopic Mass:518.375344
Topological Polar Surface Area:104
Heavy Atom Count:35
Formal Charge:0
Complexity:504
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:2
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