1-Aza-2-methoxy-1-cycloheptene

C7H13NOCAS 2525-16-8127.19 g/mol

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Properties

Molecular formula
C7H13NO
Molar mass
127.19 g/mol
Exact mass
127.0997 Da
Density
0.9632 g/mL (at 25 °C)
Boiling point
65–67 °C (at 24 Torr)
logP
1.61Crippen estimate
Polar surface area
21.6 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Flammable (GHS02)

Aggregated from 156 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number
2525-16-8
SMILES
COC1=NCCCCC1
InChIKey
DNXIQMQGKSQHPC-UHFFFAOYSA-N
InChI
InChI=1S/C7H13NO/c1-9-7-5-3-2-4-6-8-7/h2-6H2,1H3

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Names and synonyms

13 names · show all
  • 2H-Azepine, 3,4,5,6-tetrahydro-7-methoxy-
  • 3,4,5,6-Tetrahydro-7-methoxy-2H-azepine
  • O-Methylcaprolactim
  • Caprolactim O-methyl ether
  • 2-Methoxy-1-azacycloheptene
  • 4,5,6,7-Tetrahydro-2-methoxy-3H-azepine
  • O-Methyl-ε-caprolactim
  • ε-Caprolactim methyl ether
  • Caprolactim methyl ether
  • 7-Methoxy-3,4,5,6-tetrahydro-2H-azepine
  • 2-Methoxy-4,5,6,7-tetrahydro-3H-azepine
  • NSC 31263
  • NSC 523095

Reactions

Work with 1-Aza-2-methoxy-1-cycloheptene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Caprolactam105-60-239 % similar Dimethyl sebacate106-79-639 % similar Dimethyl octadecanedioate1472-93-139 % similar 1,12-Dimethyl dodecanedioate1731-79-939 % similar Dimethyl pimelate1732-08-739 % similar Dimethyl suberate1732-09-839 % similar Dimethyl azelate1732-10-139 % similar Enantholactam673-66-539 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butylacrylamide107-58-4 Cyclohexanecarboxamide1122-56-1 N-Isopropylmethacrylamide13749-61-6 (+-)-3-Quinuclidinol1619-34-7 2-Oxa-7-azaspiro[3.5]nonane241820-91-7 Hexyl isocyanate2525-62-4 (R)-3-Quinuclidinol25333-42-0 N-Methylcaprolactam2556-73-2

Elsewhere

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