- InChI
- InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
- InChI Key
- AAOVKJBEBIDNHE-UHFFFAOYSA-N
- Formula
- C16H13ClN2O
- SMILES
-
CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)
ccc21 - Molecular Weight1
- 284.74
- CAS
- 439-14-5
- Other Names
-
- 1-Methyl-5-phenyl-7-chloro-1,3-dihydro-2H-1,4-benzodiazepin-2-one
- 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-1-methyl-5-phenyl-
- 7-Chloro-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one
- 7-Chloro-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one (diazepam)
- 7-Chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepine
- 7-Chloro-1-methyl-5-3H-1,4-benzodiazepin-2(1H)-one
- 7-Chloro-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
- 7-Chloro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one
- 7-Chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2(1H)-one
- Alboral
- Aliseum
- Alupram
- Amiprol
- An-Ding
- Anlin
- Ansiolin
- Ansiolisina
- Antenex
- Apaurin
- Apozepam
- Armonil
- Arzepam
- Assival
- Atensine
- Atilen
- Bensedin
- Bialzepam
- CB 4261
- Calmocitene
- Calmpose
- Cercine
- Ceregulart
- Condition
- D-Pam
- Diacepan
- Dialag
- Dialar
- Diapam
- Diapax
- Diazemuls
- Diazepan
- Diazetard
- Dienpax
- Dipam
- Dipezona
- Domalium
- Doval
- Drenian
- Ducene
- Duksen
- Duxen
- Eridan
- Eurosan
- Evacalm
- Faustan
- Freudal
- Frustan
- Gewacalm
- Gihitan
- Horizon
- Jinpanfan
- Kabivitrum
- Kiatrium
- Kratium
- LA 111
- LA-III
- Lamra
- Lembrol
- Levium
- Liberetas
- Mandrozep
- Methyldiazepinone
- Methyldiazepinone, pharmaceutical
- Morosan
- NSC-77518
- Nellium
- Nerozen
- Neurolytril
- Noan
- Novazam
- Paceum
- Pacitran
- Paranten
- Paxate
- Paxel
- Paxum
- Placidox 5
- Plidan
- Pro pam
- Q-pam
- Quetinil
- Quiatril
- Quievita
- Relaminal
- Relanium
- Relax
- Renborin
- Ro 5-2807
- Ruhsitus
- S.A.R.L.
- Saromet
- Sedapam
- Sedipam
- Seduksen
- Seduxen
- Serenack
- Serenamin
- Serenzin
- Servizepam
- Setonil
- Sibazon
- Simasedan
- Sipam
- Solis
- Sonacon
- Stesolid
- Stesolin
- Tensium
- Tensopam
- Tranimul
- Tranqdyn
- Tranquase
- Tranquirit
- Tranquo-Puren
- Tranquo-Tablinen
- Umbrium
- Unisedil
- Usempax AP
- Valaxona
- Valeo
- Valiquid
- Valitran
- Valium
- Valrelease
- Vatran
- Vazen
- Velium
- Vival
- Vivol
- Wy 3467
- Zepaxid
- Zipan
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | [-3.75; -3.73] |
|
|
| log10WS | -3.73 | Aq. Sol... | |
| log10WS | -3.75 | Estimat... | |
| log10WS | -3.75 | Rytting... | |
| logPoct/wat | 3.154 | Crippen Calculated Property | |
| McVol | 207.390 | ml/mol | McGowan Calculated Property |
| Inp | [2404.00; 2525.80] |
|
|
| Inp | 2477.00 | NIST | |
| Inp | 2440.00 | NIST | |
| Inp | 2475.00 | NIST | |
| Inp | 2464.00 | NIST | |
| Inp | 2415.00 | NIST | |
| Inp | 2461.00 | NIST | |
| Inp | 2460.00 | NIST | |
| Inp | 2439.00 | NIST | |
| Inp | 2426.00 | NIST | |
| Inp | 2440.00 | NIST | |
| Inp | 2480.00 | NIST | |
| Inp | 2485.00 | NIST | |
| Inp | 2407.00 | NIST | |
| Inp | Outlier 2525.80 | NIST | |
| Inp | 2460.00 | NIST | |
| Inp | 2404.00 | NIST | |
| Inp | 2407.00 | NIST | |
| Inp | 2404.00 | NIST | |
| Inp | 2405.00 | NIST | |
| Inp | 2436.00 | NIST | |
| Inp | 2425.00 | NIST | |
| Inp | 2409.00 | NIST | |
| Inp | 2439.00 | NIST | |
| Inp | 2474.00 | NIST | |
| Inp | 2425.00 | NIST | |
| Inp | 2425.00 | NIST | |
| Inp | 2471.00 | NIST | |
| Inp | 2477.00 | NIST | |
| Inp | 2448.00 | NIST | |
| Inp | 2404.00 | NIST | |
| Inp | 2407.00 | NIST | |
| Inp | 2415.00 | NIST | |
| Inp | 2405.00 | NIST | |
| Inp | 2405.00 | NIST | |
| Inp | 2430.00 | NIST | |
| Inp | 2425.00 | NIST | |
| Inp | 2434.00 | NIST | |
| Inp | 2408.00 | NIST | |
| Inp | 2408.00 | NIST | |
| Inp | 2410.00 | NIST | |
| Inp | 2410.00 | NIST | |
| Inp | 2410.00 | NIST | |
| Inp | 2410.00 | NIST | |
| Inp | 2415.00 | NIST | |
| Inp | 2417.00 | NIST | |
| Inp | 2408.00 | NIST | |
| Inp | 2410.00 | NIST | |
| Inp | 2419.00 | NIST | |
| Inp | 2425.00 | NIST | |
| Inp | 2436.00 | NIST | |
| Inp | 2410.00 | NIST | |
| Inp | 2425.00 | NIST | |
| Inp | Outlier 2525.80 | NIST | |
| Inp | 2405.00 | NIST | |
| Inp | 2440.00 | NIST | |
| Inp | 2430.00 | NIST | |
| Inp | 2410.00 | NIST | |
| Inp | 2417.00 | NIST | |
| Inp | 2436.00 | NIST | |
| Inp | 2425.00 | NIST | |
| Inp | 2404.00 | NIST | |
| Inp | 2439.00 | NIST | |
| Inp | 2477.00 | NIST | |
| Inp | 2461.00 | NIST | |
| Tfus | 402.00 | K | Aq. Sol... |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [24.70; 25.49] | kJ/mol | [403.60; 404.80] |
|
| ΔfusH | 25.49 | kJ/mol | 403.60 | NIST |
| ΔfusH | 24.70 | kJ/mol | 404.80 | NIST |
Similar Compounds
Find more compounds similar to Diazepam.
Sources
- Crippen Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- Aqueous and cosolvent solubility data for drug-like organic compounds
- McGowan Method
- NIST Webbook
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.