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CAS Number: 99010-09-0
N4-isobutylquinoline-3,4-diamine

Structure

N4-isobutylquinoline-3,4-diamine
Name: N4-isobutylquinoline-3,4-diamine
Synonyms:
General Information
Product Number: 99010090

CAS Registry Number 99010-09-0
Name:
3,​4-​Quinolinediamine, N4-​(2-​methylpropyl)​-
3-Amino-4-(isobutylamino)quinoline
4-Isobutylamino-3-aminoquinoline
N'-(2-Methylpropyl)quinoline-3,4-diamine

 

Chemical Formula: C13H17N3
Exact Mass: 215.14
Molecular Weight: 215.29
m/z: 215.14 (100.0%), 216.15 (14.3%), 216.14 (1.1%)

 

InChI:InChI=1S/C13H17N3/c1-9(2)7-16-13-10-5-3-4-6-12(10)15-8-11(13)14/h3-6,8-9H,7,14H2,1-2H3,(H,15,16)

InChI Key:JFMKIQOIIMSWIM-UHFFFAOYSA-N

Canonical SMILES:CC(C)CNC1=C(C=NC2=CC=CC=C21)N

 

Thermal Properties Value Condition Note
Melting Point 98-100 °C Solv: ethyl acetate (141-78-6) (1)IC
Melting Point See full text   (2)CAS

Specification

98%

References
  1. (1) Gerster, John F.; EP 145340 A2 1985 CAPLUS
  2. (2) Gerster, John F.; Journal of Medicinal Chemistry 2005, V48(10), P3481-3491 CAPLUS
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