Chlordiazepoxide
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Product Description
Product
Chlordiazepoxide
CAS
58-25-3
Formula
C16H14ClN3O
Synonym
Chlorodiazepoxide; Clopoxide; Decacil; Eden; Elenium; Ifibrium; Kalmocaps; Librinin; Me; Mesural; 3H-1,4-Benzodiazepin-2-amine, 7-chloro-N-methyl-5-phenyl-, 4-oxide; 3H-1,4-Benzodiazepine, 7-chloro-2-(methylamino)-5-phenyl-, 4-oxide; CDO; Chloridazepoxide
Typical Product Specifications
Molecular weight
299.76
EINECS
200-371-0
SMILES
CNC1=Nc2ccc(cc2C(=[N+](C1)[O-])c3ccccc3)Cl
InChI
1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)
InChIKey
ANTSCNMPPGJYLG-UHFFFAOYSA-N
Melting Point
236.2 ° C
log P (octanol-water)
2.44
Vapor Pressure
1.03E-11 mm Hg
Water solubility
2000 mg/L
Henry's Law Constant
4.24E-17 atm-m3/mole
pKa Dissociation Constant
4.8
Atmospheric OH Rate Constant
8.26E-11 cm3/molecule-sec
Storage Temperature
Controlled Substance, -20?C Freezer, Under Inert Atmosphere
Flash Point
9?
Melting Point
230-232°C
Class
Chlordiazepoxide
Product Description
Product
Chlordiazepoxide
CAS
58-25-3
Formula
C16H14ClN3O
Synonym
Chlorodiazepoxide; Clopoxide; Decacil; Eden; Elenium; Ifibrium; Kalmocaps; Librinin; Me; Mesural; 3H-1,4-Benzodiazepin-2-amine, 7-chloro-N-methyl-5-phenyl-, 4-oxide; 3H-1,4-Benzodiazepine, 7-chloro-2-(methylamino)-5-phenyl-, 4-oxide; CDO; Chloridazepoxide
Typical Product Specifications
Molecular weight
299.76
EINECS
200-371-0
SMILES
CNC1=Nc2ccc(cc2C(=[N+](C1)[O-])c3ccccc3)Cl
InChI
1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)
InChIKey
ANTSCNMPPGJYLG-UHFFFAOYSA-N
Melting Point
236.2 ° C
log P (octanol-water)
2.44
Vapor Pressure
1.03E-11 mm Hg
Water solubility
2000 mg/L
Henry's Law Constant
4.24E-17 atm-m3/mole
pKa Dissociation Constant
4.8
Atmospheric OH Rate Constant
8.26E-11 cm3/molecule-sec
Storage Temperature
Controlled Substance, -20?C Freezer, Under Inert Atmosphere
Flash Point
9?
Melting Point
230-232°C
Class
