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CAS Number: 59039-85-9
1-isopropyl-1,4-diazepan-5-one

Structure

1-isopropyl-1,4-diazepan-5-one
Name: 1-isopropyl-1,4-diazepan-5-one
Synonyms:
General Information
Product Number: 59039859

CAS Registry Number 59039-85-9
Name:
5H-​1,​4-​Diazepin-​5-​one, hexahydro-​1-​(1-​methylethyl)​-

 

Chemical Formula: C8H16N2O
Exact Mass: 156.13
Molecular Weight: 156.23
m/z: 156.13 (100.0%), 157.13 (8.9%)

 

InChI:InChI=1S/C8H16N2O/c1-7(2)10-5-3-8(11)9-4-6-10/h7H,3-6H2,1-2H3,(H,9,11)

InChI Key:YNOFJHFSABFXNI-UHFFFAOYSA-N

Canonical SMILES:CC(C)N1CCC(=O)NCC1

 

Thermal Properties Value Condition Note
Boiling Point 115-120 °C Press: 0.8 Torr (1)IC
Melting Point 72-73 °C Solv: ethyl ether (60-29-7) (1)IC

Specification

98%

References
  1. (1) Guryn, Roman; Acta Poloniae Pharmaceutica 1975, V32(3), P293-301 CAPLUS
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