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Substance Name: 1H-Azepine-1-carboxylic acid, hexahydro-, ethyl ester
RN: 27031-51-2
InChIKey: QTALNDLQMOUACM-UHFFFAOYSA-N

Molecular Formula

  • C9-H17-N-O2

Molecular Weight

  • 171.238
 
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Names and Synonyms

Synonyms

  • 5-20-04-00033 (Beilstein Handbook Reference)
  • AI3-37769
  • BRN 1342774
  • Hexamethylene-urethane
  • NSC 30498

Systematic Name

  • 1H-Azepine-1-carboxylic acid, hexahydro-, ethyl ester

Registry Numbers

CAS Registry Number

  • 27031-51-2

System Generated Number

  • 0027031512

Structure Descriptors

InChI

1S/C9H17NO2/c1-2-12-9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3

InChIKey

QTALNDLQMOUACM-UHFFFAOYSA-N

Smiles

N1(C(OCC)=O)CCCCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04381,