200,000+ products from a single source!
sales@angenechem.com
162411-26-9 | 1H-Benz[e]indolium, 3-(3-aminopropyl)-1,1,2-trimethyl-, bromide, hydrobromide (1:1:1)
CAS No: 162411-26-9 Catalog No: AG001T38 MDL No:
Product Description
Catalog Number:
AG001T38
Chemical Name:
1H-Benz[e]indolium, 3-(3-aminopropyl)-1,1,2-trimethyl-, bromide, hydrobromide (1:1:1)
CAS Number:
162411-26-9
Molecular Formula:
C18H24Br2N2
Molecular Weight:
428.2046
IUPAC Name:
3-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)propan-1-amine;bromide;hydrobromide
InChI:
InChI=1S/C18H23N2.2BrH/c1-13-18(2,3)17-15-8-5-4-7-14(15)9-10-16(17)20(13)12-6-11-19;;/h4-5,7-10H,6,11-12,19H2,1-3H3;2*1H/q+1;;/p-1
InChI Key:
DKTDKOQHPGCPJH-UHFFFAOYSA-M
SMILES:
NCCC[N+]1=C(C)C(c2c1ccc1c2cccc1)(C)C.Br.[Br-]
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.029g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
428.212g/mol
Monoisotopic Mass:
426.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.