1,2-Benzenediol, 4-((2-((dimethylamino)methyl)phenyl)thio)-, (Z)-2-but enedioate (1:1) (salt)

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Names

[ CAS No. ]:
127906-30-3

[ Name ]:
1,2-Benzenediol, 4-((2-((dimethylamino)methyl)phenyl)thio)-, (Z)-2-but enedioate (1:1) (salt)

Chemical & Physical Properties

[ Boiling Point ]:
427ºC at 760 mmHg

[ Molecular Formula ]:
C19H21NO6S

[ Molecular Weight ]:
391.43800

[ Flash Point ]:
212ºC

[ Exact Mass ]:
391.10900

[ PSA ]:
143.60000

[ LogP ]:
3.02240

[ Vapour Pressure ]:
6.84E-08mmHg at 25°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CZ8937781
CAS REGISTRY NUMBER :
127906-30-3
LAST UPDATED :
199207
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C15-H17-N-O2-S.C4-H4-O4
MOLECULAR WEIGHT :
391.47

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
435 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CCCCAK Collection of Czechoslovak Chemical Communications. (Academic Press Inc. Ltd., 24-28 Oval Rd., London NW1 7DX, UK) V.1- 1929- Volume(issue)/page/year: 54,3294,1989

Related Compounds

  • 1,2-Benzenediol,4-(dimethylamino)-,radical ion(1+) (9CI)
  • 4-(1-Amino-2-methylpropyl)-1,2-benzenediol
  • Adrenaline, N-isopropyl- (5CI)
  • 1,2-Benzenediol, 4-[(1-piperazinylimino)methyl]- (9CI)
  • DL-Norepinephrine-d6 Hydrochloride
  • 1,2-Benzenediol, 4-(phenylamino)- (9CI)
  • 3-Homopyrocatechol,5-amino-6-chloro- (2CI)
  • 2-(1-cyclohexyl-5-ethyl-1H-1,2,3-triazol-4-yl)ethan-1-amine
  • 2-[5-ethyl-1-(3-methoxypropyl)-1H-1,2,3-triazol-4-yl]ethan-1-amine
  • 2-{1-[3-(dimethylamino)propyl]-5-(propan-2-yl)-1H-1,2,3-triazol-4-yl}ethan-1-amine
  • 2-[1-cyclopentyl-5-(propan-2-yl)-1H-1,2,3-triazol-4-yl]ethan-1-amine
  • 2-[5-(propan-2-yl)-1-propyl-1H-1,2,3-triazol-4-yl]ethan-1-amine
  • 2-[1-(cyclopropylmethyl)-5-(propan-2-yl)-1H-1,2,3-triazol-4-yl]ethan-1-amine
  • 2-[1-(4-methoxybutyl)-5-(propan-2-yl)-1H-1,2,3-triazol-4-yl]ethan-1-amine
  • 2-[5-cyclopropyl-1-(oxolan-2-ylmethyl)-1H-1,2,3-triazol-4-yl]ethan-1-amine
  • 2-{5-cyclopropyl-1-[2-(dimethylamino)ethyl]-1H-1,2,3-triazol-4-yl}ethan-1-amine
  • 2-[5-cyclopropyl-1-(3-ethoxypropyl)-1H-1,2,3-triazol-4-yl]ethan-1-amine
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