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CAS Number: 169205-78-1
N4-(3-bromophenyl)quinazoline-4,6-diamine

Structure

N4-(3-bromophenyl)quinazoline-4,6-diamine
Name: N4-(3-bromophenyl)quinazoline-4,6-diamine
Synonyms:
General Information
Product Number: 169205781

CAS Registry Number: 169205-78-1

Name:

4,​6-​Quinazolinediamine, N4-​(3-​bromophenyl)​-
4-​[3-​Bromophenylamino]​-​6-​aminoquinazoline; ZR 01 

 

Chemical Formula: C14H11BrN4
Exact Mass: 314.02
Molecular Weight: 315.17
m/z: 314.02 (100.0%), 316.01 (97.3%), 315.02 (15.3%), 317.02 (14.9%), 315.01 (1.5%), 317.01 (1.4%), 316.02 (1.3%), 318.02 (1.3%)
Elemental Analysis: C, 53.35; H, 3.52; Br, 25.35; N, 17.78

 

InChI: InChI=1S/C14H11BrN4/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)
InChIKey: IZQHULBHKPGOAP-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=CC(=C1)Br)NC2=NC=NC3=C2C=C(C=C3)N

 

Thermal Properties Value Condition Note
Melting Point 204-206 °C   (4)CAS
Melting Point 204-206 °C   (5)CAS
Melting Point 204 °C   (7)CAS
Melting Point 203.5-204.5 °C   (8)CAS
Melting Point 203-204 °C   (9)CAS

Specification

98%

References
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  4. (4) Rachid, Zakaria; Journal of Medicinal Chemistry 2003, V46(20), P4313-4321 CAPLUS
  5. (5) Domarkas, Juozas; Journal of Medicinal Chemistry 2006, V49(12), P3544-3552 CAPLUS
  6. (6) Li, De-Liang; Acta Crystallographica, Section E: Structure Reports Online 2010, V66(2), Po447, So447/1-So447/9 CAPLUS
  7. (7) Shaul, Mazal; Bioorganic & Medicinal Chemistry 2004, V12(13), P3421-3429 CAPLUS
  8. (8) Tsou, Hwei-Ru; Journal of Medicinal Chemistry 2001, V44(17), P2719-2734 CAPLUS
  9. (9) Albuschat, Rica; European Journal of Medicinal Chemistry 2004, V39(12), P1001-1011 CAPLUS
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