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CAS Number: 952229-05-9
8-(4-iodobutoxy)-4,5-dihydro-1H-pyrido[2,3-d][1,3]diazepin-2(3H)-one

Structure

 8-(4-iodobutoxy)-4,5-dihydro-1H-pyrido[2,3-d][1,3]diazepin-2(3H)-one
Name: 8-(4-iodobutoxy)-4,5-dihydro-1H-pyrido[2,3-d][1,3]diazepin-2(3H)-one
Synonyms:
General Information
Product Number: 952229059

CAS Registry Number 952229-05-9
Name:
2H-?Pyrido[2,?3-?d]?-?1,?3-?diazepin-?2-?one, 1,?3,?4,?5-?tetrahydro-?8-?(4-?iodobutoxy)?-

 

Chemical Formula: C12H16IN3O2
Exact Mass: 361.03
Molecular Weight: 361.18
m/z: 361.03 (100.0%), 362.03 (14.3%)

 

InChI:InChI=1S/C12H16IN3O2/c13-6-1-2-8-18-10-4-3-9-5-7-14-12(17)16-11(9)15-10/h3-4H,1-2,5-8H2,(H2,14,15,16,17)

InChI Key:STTIOYIZPCSAPP-UHFFFAOYSA-N

Canonical SMILES:C1CNC(=O)NC2=C1C=CC(=N2)OCCCCI

 

Thermal Properties Value Condition Note
Melting Point 105-107 °C   (1)CAS

Specification

98%
References

(1) Magano, Javier; Organic Process Research & Development 2009, V13(3), P555-566 CAPLUS
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