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102571-29-9 | Ethanaminium, 2-(diphenylmethoxy)-N,N,N-triethyl-, bromide (1:1)
CAS No: 102571-29-9 Catalog No: AG0007RP MDL No:
Product Description
Catalog Number:
AG0007RP
Chemical Name:
Ethanaminium, 2-(diphenylmethoxy)-N,N,N-triethyl-, bromide (1:1)
CAS Number:
102571-29-9
Molecular Formula:
C21H30BrNO
Molecular Weight:
392.3730
IUPAC Name:
2-benzhydryloxyethyl(triethyl)azanium;bromide
InChI:
InChI=1S/C21H30NO.BrH/c1-4-22(5-2,6-3)17-18-23-21(19-13-9-7-10-14-19)20-15-11-8-12-16-20;/h7-16,21H,4-6,17-18H2,1-3H3;1H/q+1;/p-1
InChI Key:
AXNCWFBXVFPPIR-UHFFFAOYSA-M
SMILES:
CC[N+](CCOC(c1ccccc1)c1ccccc1)(CC)CC.[Br-]
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.151g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
392.381g/mol
Monoisotopic Mass:
391.151g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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