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CAS Number: 911415-74-2
8-(4-hydroxybutoxy)-4,5-dihydro-1H-pyrido[2,3-d][1,3]diazepin-2(3H)-one

Structure

 8-(4-hydroxybutoxy)-4,5-dihydro-1H-pyrido[2,3-d][1,3]diazepin-2(3H)-one
Name: 8-(4-hydroxybutoxy)-4,5-dihydro-1H-pyrido[2,3-d][1,3]diazepin-2(3H)-one
Synonyms:
General Information
Product Number: 911415742

CAS Registry Number 911415-74-2
Name:
2H-?Pyrido[2,?3-?d]?-?1,?3-?diazepin-?2-?one, 1,?3,?4,?5-?tetrahydro-?8-?(4-?hydroxybutoxy)?-

 

Chemical Formula: C12H17N3O3
Exact Mass: 251.13
Molecular Weight: 251.28
m/z: 251.13 (100.0%), 252.13 (13.3%), 253.13 (1.6%), 252.12 (1.1%)

 

InChI:InChI=1S/C12H17N3O3/c16-7-1-2-8-18-10-4-3-9-5-6-13-12(17)15-11(9)14-10/h3-4,16H,1-2,5-8H2,(H2,13,14,15,17)

InChI Key:VKMLITZOYWDUAY-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 116-118 °C   (1)CAS

Specification

98%
References

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