6-(Benzyloxy)-1H-indazol-3-amine
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Basic information
- CAS
1167056-55-4- Standard SMILES
Nc1n[nH]c2cc(OCc3ccccc3)ccc12- InChIKey
ROHXXLOQNTULLE-UHFFFAOYSA-N- Molecular formula
- C14H13N3O
- Average molar mass
- 239.27 g/mol
- Monoisotopic mass
- 239.10586205
Names & identifiers
- Preferred name
- 6-(Benzyloxy)-1H-indazol-3-amine
- IUPAC
- 6-phenylmethoxy-1H-indazol-3-amine
- English name
- 3-AMino-6-benzyloxy-1H-indazole
- Molecular formula
- C14H13N3O
- Molecular weight
- 239.27
Names & synonyms
1167056-55-46-(Benzyloxy)-1H-indazol-3-amine3-Amino-6-benzyloxy-1H-indazole6-phenylmethoxy-1H-indazol-3-amine3-Amino-6-(benzyloxy)-1H-indazole6-Benzyloxy-1H-indazol-3-ylamineMFCD118456131H-Indazol-3-amine, 6-(phenylmethoxy)-SCHEMBL11963403SCHEMBL186642976-benzyloxy-1H-indazol-3-amineDTXSID30694633
Show more names
AKOS016011748CS-W003797CS-11774DA-47662SY029978F793239A1-01334
Database identifiers
- CAS
1167056-55-4- PubChem CID
- 53399508
- DTXSID
DTXSID30694633
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 63.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Boiling point
- 495.2 · 495.2±30.0 °C(Predicted)
- Density
- 1.314 · 1.314±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 15.11 · 15.11±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
- HS Code
- 2933998090 · 2933998090
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
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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