1-[2-methoxy-6-[(propan-2-ylamino)methyl]-4-prop-2-enylphenoxy]propane-1,3-diol

Names

[ CAS No. ]:
102612-76-0

[ Name ]:
1-[2-methoxy-6-[(propan-2-ylamino)methyl]-4-prop-2-enylphenoxy]propane-1,3-diol

[Synonym ]:
3-(4-Allyl-2-((isopropylamino)methyl)-6-methoxyphenoxy)-1,3-propanediol
1,3-Propanediol,3-(4-allyl-2-((isopropylamino)methyl)-6-methoxyphenoxy)

Chemical & Physical Properties

[ Density]:
1.084g/cm3

[ Boiling Point ]:
463.7ºC at 760mmHg

[ Molecular Formula ]:
C17H27NO4

[ Molecular Weight ]:
309.40100

[ Flash Point ]:
234.2ºC

[ Exact Mass ]:
309.19400

[ PSA ]:
70.95000

[ LogP ]:
2.39220

[ Vapour Pressure ]:
2.13E-09mmHg at 25°C

[ Index of Refraction ]:
1.53

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TY2655000
CHEMICAL NAME :
1,3-Propanediol, 3-(4-allyl-2-((isopropylamino)methyl)-6-methoxyphenox y)-
CAS REGISTRY NUMBER :
102612-76-0
LAST UPDATED :
198609
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H27-N-O4
MOLECULAR WEIGHT :
309.45
WISWESSER LINE NOTATION :
Q1YQ1OR BO1 D2U1 F1MY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
84 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - changes in motor activity (specific assay) Vascular - shock
REFERENCE :
FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 19,324,1964

Related Compounds

  • 3-Bromo-2-{[(tert-butoxy)carbonyl]amino}-6-methylbenzoic acid
  • 1-(4-amino-1H-imidazol-1-yl)-3-(diethylamino)propan-2-ol
  • 3-bromo-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-6-methylbenzoic acid
  • 3-{[(benzyloxy)carbonyl]amino}-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid
  • 4-{[(Benzyloxy)carbonyl]amino}pyrazolo[1,5-a][1,3,5]triazine-8-carboxylic acid
  • 4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pyrazolo[1,5-a][1,3,5]triazine-8-carboxylic acid
  • (2S)-3-{[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-1-methyl-1H-pyrazol-4-yl]formamido}-2-hydroxypropanoic acid
  • (3S)-3-({5-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]-1,3-oxazol-4-yl}formamido)-4-methylpentanoic acid
  • (1R,5S)-3-[1-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclohexanecarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
  • 1-[(2S,3S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylpentanoyl]-3-methylazetidine-3-carboxylic acid
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