Basic information
- CAS
136-28-7- Standard SMILES
Cc1ccc(Cl)cc1N=NN(C)CC(=O)O- InChIKey
OKZLBAQJYTZVCX-UHFFFAOYSA-N- Molecular formula
- C10H12ClN3O2
- Average molar mass
- 241.67 g/mol
- Monoisotopic mass
- 241.0618043
Names & identifiers
- Preferred name
- N-((5-Chloro-o-tolyl)azo)sarcosine
- IUPAC
- 2-[[(5-chloro-2-methylphenyl)diazenyl]-methylamino]acetic acid
- English name
- [3-(5-chloro-2-methylphenyl)-1-methyltriazen-2-yl]acetic acid
- Molecular formula
- C10H13ClN3O2
- Molecular weight
- 241.67
Names & synonyms
136-28-7[3-(5-chloro-2-methylphenyl)-1-methyltriazen-2-yl]acetic acid(3-(5-Chloro-2-methylphenyl)-1-methyltriazen-2-yl)acetic acidN-((5-Chloro-o-tolyl)azo)sarcosine2-[[(5-chloro-2-methylphenyl)diazenyl]-methylamino]acetic acidEINECS 205-235-4SCHEMBL14497014OKZLBAQJYTZVCX-UHFFFAOYSA-NDTXSID401165447Acetic acid, (3-(5-chloro-2-methylphenyl)-1-methyl-2-triazenyl)-Sarcosine, N-((5-chloro-o-tolyl)azo)-NS00041437
Show more names
[3-(5-Chloro-2-methylphenyl)-1-methyl-2-triazeno]acetic acid
[3-(5-CHLORO-2-METHYLPHENYL)-1-METHYLTRIAZ-2-EN-1-YL]ACETIC ACID2-[3-(5-Chloro-2-methylphenyl)-1-methyl-2-triazen-1-yl]acetic acid
Database identifiers
- CAS
136-28-7- PubChem CID
- 67291
- DTXSID
DTXSID401165447- EC Number
- 205-235-4
- Nikkaji
- J184.402D
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 65.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 273
Physicochemical properties
- Boiling point
- 403.437 · 403.437±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.289 · 1.289±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.642 · 3.642±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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