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Methanaminium, N,N,N-trimethyl-, bromochlorobromate(1-) (9CI) structure
Methanaminium, N,N,N-trimethyl-, bromochlorobromate(1-) (9CI) structure

Methanaminium, N,N,N-trimethyl-, bromochlorobromate(1-) (9CI)

Iupac Name:5,12-dibutylquinolino[2,3-b]acridine-7,14-dione
CAS No.:99762-80-8
Molecular Weight:424.53
1. Names and Identifiers
1.1 Name
Methanaminium, N,N,N-trimethyl-, bromochlorobromate(1-) (9CI)
1.2 Synonyms

AC1L1C0V ammonium, tetramethyl-, dibromochloride dibromochloranuide methanaminium, n,n,n-trimethyl-, bromochlorobromate(1-) nsc 221284 tetramethylammonium dibromochloride

1.3 CAS No.
99762-80-8
1.4 CID
13432652
1.5 Molecular Formula
C9H18Br2 (isomer)
1.6 Inchi
InChI=1S/C28H28N2O2/c1-3-5-15-29-23-13-9-7-11-19(23)27(31)21-18-26-22(17-25(21)29)28(32)20-12-8-10-14-24(20)30(26)16-6-4-2/h7-14,17-18H,3-6,15-16H2,1-2H3
1.7 InChkey
MYFHGRHNRNCMHV-UHFFFAOYSA-N
1.8 Canonical Smiles
CCCCN1C2=CC=CC=C2C(=O)C3=CC4=C(C=C31)C(=O)C5=CC=CC=C5N4CCCC
1.9 Isomers Smiles
CCCCN1C2=CC=CC=C2C(=O)C3=CC4=C(C=C31)C(=O)C5=CC=CC=C5N4CCCC
2. Properties
3.1 Melting Point
262-265 篊
3. Computational chemical data
  • Molecular Weight:424.53g/mol
  • Molecular Formula:C9H18Br2
  • Compound Is Canonicalized:True
  • XLogP3-AA:6.8
  • Exact Mass:424.215078140
  • Monoisotopic Mass:424.215078140
  • Complexity:635
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:40.6
  • Heavy Atom Count:32
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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N,N’-Dibutylquinacridone, 98%
  • Purity:99%Packing: 200kg/bag FOB
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N,N'- Dibutylquinacridone
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