1-Nitrosoindoline
Completing data — refresh the page later to see the latest
Basic information
- CAS
7633-57-0- Standard SMILES
O=NN1CCc2ccccc21- InChIKey
QVXPAHMYCSEIMA-UHFFFAOYSA-N- Molecular formula
- C8H8N2O
- Average molar mass
- 148.16 g/mol
- Monoisotopic mass
- 148.06366288
Names & identifiers
- Preferred name
- 1-Nitrosoindoline
- IUPAC
- 1-nitroso-2,3-dihydroindole
- English name
- N-Nitrosoindoline
- Molecular formula
- C8H8N2O
- Molecular weight
- 148.16
Names & synonyms
1-Nitrosoindoline7633-57-0INDOLINE, 1-NITROSO-DTXSID00227194RefChem:1056108DTXCID001496851-Nitroso-2,3-dihydro-1H-indoleN-NitrosoindolineN-Nitrosoindolin1-nitroso-2,3-dihydroindoleN-Nitroso IndolineMFCD01110239
Show more names
1H-Indole, 2,3-dihydro-1-nitroso-
N-Nitrosoindolin [German]BRN 0132426N-Nitroso-indolin1-Nitrosoindoline #5-20-06-00250 (Beilstein Handbook Reference)CHEMBL351284SCHEMBL2344277Indole, 2,3-dihydro-N-nitroso-
Database identifiers
- CAS
7633-57-0- PubChem CID
- 24274
- DTXSID
DTXSID00227194- ChEMBL
CHEMBL351284- EC Number
- 877-092-1
- Nikkaji
- J36.996I
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Melting point
- 81.5 °C · 81.5°C
- Boiling point
- 268.75 °C · 268.75°C (rough estimate)
- Density
- 1.1828 · 1.1828 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- form
- A solid
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 320 mg/kg ZEKBAI 69,103,67
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 orl-rat: 320 mg/kg ZEKBAI 69,103,67
Chemistry & industry
Applications
Uses1-[(4-Chlorophenyl)phenylmethyl]-4-(phenylsulfonyl)piperazine is an impurity of Cetirizine (C281100).
Upstream & downstream products
Downstream products
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
4 records
Compound notes
Loading…