DL-Malic acid dihydrazide
- Iupac Name：2-hydroxybutanedihydrazide
- CAS No.: 6641-30-1
- Molecular Weight：162.149
- Modify Date.: 2022-10-26 09:06
1. Names and Identifiers
- 1.1 Name
- DL-Malic acid dihydrazide
- 1.2 Synonyms
2-hydroxysuccinohydrazide Aepfelsaeure-dihydrazid Butanedioic acid, 2-hydroxy-, 1,4-dihydrazide Butanedioic acid, hydroxy-, dihydrazide DL-Malic acid dihydrazide hydroxysuccinic acid dihydrazide malic dihydrazide
- 1.3 CAS No.
- 6641-30-1
- 1.4 CID
- 96026
- 1.5 Molecular Formula
- C4H10N4O3 (isomer)
- 1.6 Inchi
- InChI=1S/C4H10N4O3/c5-7-3(10)1-2(9)4(11)8-6/h2,9H,1,5-6H2,(H,7,10)(H,8,11)
- 1.7 InChIkey
- LGWROMGRXCZCLA-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- C(C(C(=O)NN)O)C(=O)NN
- 1.9 Isomers Smiles
- C(C(C(=O)NN)O)C(=O)NN
2. Properties
- 2.1 Density
- 1.452
- 2.1 Boiling point
- 614.9°C at 760 mmHg
- 2.1 Refractive index
- 1.565
- 2.1 Flash Point
- 325.7°C
- 2.1 Precise Quality
- 162.07500
- 2.1 PSA
- 130.47000
- 2.1 logP
- -1.10040
3. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
4. Computational chemical data
- Molecular Weight: 162.149g/mol
- Molecular Formula: C4H10N4O3
- Compound Is Canonicalized: True
- XLogP3-AA: -3.3
- Exact Mass: 162.07529019
- Monoisotopic Mass: 162.07529019
- Complexity: 159
- Rotatable Bond Count: 3
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 5
- Topological Polar Surface Area: 131
- Heavy Atom Count: 11
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADccBjsAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAYCAAACBShgAIAAABiAgAIAAEQEAIAAAAAAAISIAFAAAACEBQAgAAAQAACMAAAAAAFAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
5. Recommended Suppliers
6. Realated Product Infomation
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