Basic information
- CAS
19062-39-6- Standard SMILES
NNc1nc2ccccc2c(=O)n1N- InChIKey
XVRQEQRJAXBHPD-UHFFFAOYSA-N- Molecular formula
- C8H9N5O
- Average molar mass
- 191.19 g/mol
- Monoisotopic mass
- 191.08070993
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-amino-2-hydrazino-
- IUPAC
- 3-amino-2-hydrazinylquinazolin-4-one
- English name
- 3-Amino-2-hydrazinoquinazolin-4(3H)-one
- Molecular formula
- C8H9N5O
- Molecular weight
- 191.19
Names & synonyms
19062-39-64(3H)-Quinazolinone, 3-amino-2-hydrazino-BRN 15725233-Amino-2-hydrazino-4(3H)-quinazolinoneDTXSID601725505-24-07-00515 (Beilstein Handbook Reference)RefChem:284166DTXCID00950413-amino-2-hydrazinoquinazolin-4(3H)-one3-amino-2-hydrazinylquinazolin-4(3H)-one3-amino-2-hydrazinyl-3,4-dihydroquinazolin-4-one3-amino-2-hydrazinylquinazolin-4-one
Show more names
4(3H)-Quinazolinone, 3-amino-2-hydrazinyl-
MFCD016865013-Amino-2-hydrazino-3H-quinazolin-4-oneCHEMBL1163167SCHEMBL11160704XVRQEQRJAXBHPD-UHFFFAOYSA-NALBB-013073STK3978513-amino-2-hydrazino-quinazolin-4-one
Database identifiers
- CAS
19062-39-6- PubChem CID
- 64057
- DTXSID
DTXSID60172550- ChEMBL
CHEMBL1163167- Nikkaji
- J274.530E
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 96.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Melting point
- 219 · 219-221 °C
- Boiling point
- 416.3 · 416.3±28.0 °C(Predicted)
- Density
- 1.65 · 1.65±0.1 g/cm3(Predicted)
- pka
- 1.53 · 1.53±0.20(Predicted)
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
2 records
Compound notes
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