Basic information
- CAS
70402-14-1- Standard SMILES
Nc1ccc2c3c(cccc13)C(=O)C=C2- InChIKey
LNWQVXDBQBAGHD-UHFFFAOYSA-N- Molecular formula
- C13H9NO
- Average molar mass
- 195.22 g/mol
- Monoisotopic mass
- 195.06841391
Names & identifiers
- Preferred name
- 6-Amino-1-phenalenone
- IUPAC
- 6-aminophenalen-1-one
- English name
- 6-Amino-1-phenalenone
- Molecular formula
- C13H9NO
- Molecular weight
- 195.22
Names & synonyms
6-Amino-1-phenalenone70402-14-1DTXSID80343104RefChem:307057DTXCID00294184634-742-76-Amino-1H-phenalen-1-one6-aminophenalen-1-oneMFCD002269546-aminophenalenoneSCHEMBL716372CHEMBL4864472
Show more names
PHENALEMIN 610PHENALEMINE 610PHENALEMINE 1606-AMINO-PHENALEN-1-ONE6-AMINO-1H-PHENALENE-1-ONE1H-Phenalen-1-one, 6-amino-6-AMINO-1-PHENALENONE PURUM 97%
6-Amino-1H-phenalen-1-one #LNWQVXDBQBAGHD-UHFFFAOYSA-NHMS1607O02Phenalene-1(1H)-one, 6-amino-SBB059289STK835559AKOS001483298VS-08769
Database identifiers
- CAS
70402-14-1- PubChem CID
- 587481
- DTXSID
DTXSID80343104- ChEMBL
CHEMBL4864472- EC Number
- 634-742-7
- Nikkaji
- J785.301G
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Melting point
- 225 · 225-226 °C(Solv: chloroform (67-66-3))
- Boiling point
- 421.8 · 421.8±45.0 °C(Predicted)
- Density
- 1.349 · 1.349±0.06 g/cm3(Predicted)
- pka
- 2.98 · 2.98±0.20(Predicted)
- BRN
- 2720345 · 2720345
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers8 total
上海仲因实业有限公司2537653158 16621191650 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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