Basic information
- CAS
3408-21-7- Standard SMILES
CC(C)NNC(=O)c1ccccc1- InChIKey
JEDFDJQCNTWWDS-UHFFFAOYSA-N- Molecular formula
- C10H14N2O
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.11061307
Names & identifiers
- Preferred name
- 1-Benzoyl-2-isopropylhydrazine
- IUPAC
- N'-propan-2-ylbenzohydrazide
- English name
- Benzoic acid, 2-(1-methylethyl)hydrazide
- Molecular formula
- C10H14N2O
- Molecular weight
- 178.23
Names & synonyms
3408-21-7BENZOIC ACID, 2-ISOPROPYLHYDRAZIDE1-Benzoyl-2-isopropylhydrazineC00JE2LO5PNSC 50993P 1052BRN 2047396Benzoic acid, 2-(1-methylethyl)hydrazideNSC-50993UNII-C00JE2LO5PDTXSID90187677N'-ISOPROPYLBENZOIC HYDRAZIDE
Show more names
RefChem:197002DTXCID50110168N'-isopropylbenzohydrazideN'-(propan-2-yl)benzohydrazideBenzoicacid,2-(1-methylethyl)hydrazideN'-propan-2-ylbenzohydrazideSCHEMBL5394237N-[(methylethyl)amino]benzamide
Database identifiers
- CAS
3408-21-7- PubChem CID
- 18869
- DTXSID
DTXSID90187677- ChEMBL
CHEMBL5788490- UNII
- C00JE2LO5P
- Nikkaji
- J659.563D
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Melting point
- 117 °C · 117 °C
- Boiling point
- 245.7 · 245.7±13.0 °C(Predicted)
- Density
- 1.036 · 1.036±0.06 g/cm3(Predicted)
- pka
- 12.53 · 12.53±0.23(Predicted)
- FDA UNII
- 0 JE2LO5P · C00JE2LO5P
Chemistry & industry
Suppliers5 total
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
南京毕科生物科技有限公司025-58906079 17352406906 · [email protected]
Nanjing Bicbiotechnology Co., Ltd+86-2552131256 +86-18251840740 · [email protected]
山东碳氢生物化工有限公司15508610597 15508610597 · [email protected]
Related reactions
51 records
Compound notes
Loading…