Basic information
- CAS
1781690-28-5- Standard SMILES
COc1ccc2c(c1N)CCC2- InChIKey
YBIMPTLLAIXAFW-UHFFFAOYSA-N- Molecular formula
- C10H13NO
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.09971404
Names & identifiers
- Preferred name
- 5-methoxy-2,3-dihydro-1H-inden-4-amine
- IUPAC
- 5-methoxy-2,3-dihydro-1H-inden-4-amine
- English name
- 5-methoxy-2,3-dihydro-1H-inden-4-amine
- Molecular formula
- C10H13NO
- Molecular weight
- 163.22
Names & synonyms
5-methoxy-2,3-dihydro-1H-inden-4-amine1781690-28-5RefChem:536617831-980-5MFCD280124315-methoxyindan-4-amine4-Amino-5-methoxyindaneSCHEMBL18029612GWC69028AKOS024052545BS-42653SY160289
Show more names
1H-Inden-4-amine, 2,3-dihydro-5-methoxy-
EN300-176062Z1827894929
Database identifiers
- CAS
1781690-28-5- PubChem CID
- 22004792
- EC Number
- 831-980-5
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Boiling point
- 296.8 · 296.8±40.0 °C(Predicted)
- Density
- 1.127 · 1.127±0.06 g/cm3(Predicted)
- pka
- 4.43 · 4.43±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H302-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H302-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers1 total
上海宏合医药科技有限公司18352536981
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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