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Substance Name: 3-(Hydroxyethyl)-5-methyl-8-(2-methylethyl)-3,4-dihydro-2H-1,3-benzoxazine
RN: 117652-03-6
InChIKey: KVVOGCVXVAYLDV-UHFFFAOYSA-N

Note

  • Allergen formed by reaction of thymol and triazine derivatives in Hirudoid cream.

Molecular Formula

  • C14-H21-N-O2

Molecular Weight

  • 235.325
 
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Names and Synonyms

Name of Substance

  • 3-(Hydroxyethyl)-5-methyl-8-(2-methylethyl)-3,4-dihydro-2H-1,3-benzoxazine

Synonyms

  • 3-Hmmdb
  • 5-Methyl-8-propyl-2H-1,3-benzoxazine-3(4H)-ethanol

Systematic Name

  • 2H-1,3-Benzoxazine-3(4H)-ethanol, 5-methyl-8-propyl-

Registry Numbers

CAS Registry Number

  • 117652-03-6

System Generated Number

  • 0117652036

Structure Descriptors

InChI

1S/C14H21NO2/c1-3-4-12-6-5-11(2)13-9-15(7-8-16)10-17-14(12)13/h5-6,16H,3-4,7-10H2,1-2H3

InChIKey

KVVOGCVXVAYLDV-UHFFFAOYSA-N

Smiles

O1C[N@@](Cc2c1c(ccc2C)CCC)CCO