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CAS Number: 5441-40-7
1-methyl-1,4-diazepan-5-one

Structure

1-methyl-1,4-diazepan-5-one
Name: 1-methyl-1,4-diazepan-5-one
Synonyms:
General Information
Product Number: 5441407

CAS Registry Number 5441-40-7
Name:
5H-​1,​4-​Diazepin-​5-​one, hexahydro-​1-​methyl-
NSC 135473
NSC 21318
NSC 217969

 

Chemical Formula: C6H12N2O
Exact Mass: 128.09
Molecular Weight: 128.17
m/z: 128.09 (100.0%), 129.10 (6.7%)

 

InChI:InChI=1S/C6H12N2O/c1-8-4-2-6(9)7-3-5-8/h2-5H2,1H3,(H,7,9)

InChI Key:FZYSZYWKHFCLSF-UHFFFAOYSA-N

Canonical SMILES:CN1CCC(=O)NCC1

 

Thermal Properties Value Condition Note
Boiling Point 125-130 °C Press: 1.2 Torr (1)IC
Melting Point 83-85 °C Solv: ligroine (8032-32-4) (1)IC
Melting Point 83-84 °C   (2)CAS
Melting Point 83-84 °C   (3)CAS

Specification

98%

References
  1. (1) Guryn, Roman; Acta Poloniae Pharmaceutica 1975, V32(3), P293-301 CAPLUS
  2. (2) Dickerman, S. C.; Journal of Organic Chemistry 1949, V14, P530-6 CAPLUS
  3. (3) Wadia, P. S.; Journal of Scientific & Industrial Research 1958, V17B, P31-2 CAPLUS
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