Phenanthridinium, 5-(3-bromopropyl)-3,8-bis[(ethoxycarbonyl)amino]-6-phenyl-, bromide (1:1)
CAS Registry Number®
62113-49-9
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CAS Name
Phenanthridinium, 5-(3-bromopropyl)-3,8-bis[(ethoxycarbonyl)amino]-6-phenyl-, bromide (1:1)Molecular Formula
C28H29BrN3O4.BrCite this Page
Phenanthridinium, 5-(3-bromopropyl)-3,8-bis[(ethoxycarbonyl)amino]-6-phenyl-, bromide (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=62113-49-9 (retrieved ) (CAS RN: 62113-49-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
235-236 °C (decomp)
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C28H28BrN3O4.BrH/c1-3-35-27(33)30-20-11-13-22-23-14-12-21(31-28(34)36-4-2)18-25(23)32(16-8-15-29)26(24(22)17-20)19-9-6-5-7-10-19;/h5-7,9-14,17-18H,3-4,8,15-16H2,1-2H3,(H,30,33);1H
InChIKey
InChIKey=FEKABAHLFSPQDM-UHFFFAOYSA-N
SMILES
C(CCBr)[N+]=1C(=C2C(=C3C1C=C(NC(OCC)=O)C=C3)C=CC(NC(OCC)=O)=C2)C4=CC=CC=C4.[Br-]
Canonical SMILES
[Br-].O=C(OCC)NC=1C=CC=2C=3C=CC(=CC3[N+](=C(C=4C=CC=CC4)C2C1)CCCBr)NC(=O)OCC
Other Names for this Substance
- Phenanthridinium, 5-(3-bromopropyl)-3,8-bis[(ethoxycarbonyl)amino]-6-phenyl-, bromide (1:1)
- Phenanthridinium, 5-(3-bromopropyl)-3,8-bis[(ethoxycarbonyl)amino]-6-phenyl-, bromide
- 3,8-Bis-ethoxycarbonylamino-5-(3-bromo-propyl)-6-phenyl-phenanthridinium bromide