Basic information
- CAS
6577-95-3- Standard SMILES
Cc1c[nH]c2c1C(=O)CCC2- InChIKey
SNHVQHNXQVXZOU-UHFFFAOYSA-N- Molecular formula
- C9H11NO
- Average molar mass
- 149.19 g/mol
- Monoisotopic mass
- 149.08406397
Names & identifiers
- Preferred name
- 3-methyl-4,5,6,7-tetrahydro-1H-indol-4-one
- IUPAC
- 3-methyl-1,5,6,7-tetrahydroindol-4-one
- English name
- 3-methyl-6,7-dihydro-1H-indol-4(5H)-one
- Molecular formula
- C9H11NO
- Molecular weight
- 149.19
Names & synonyms
3-methyl-4,5,6,7-tetrahydro-1H-indol-4-oneRefChem:503819964-652-66577-95-33-methyl-6,7-dihydro-1H-indol-4(5H)-one3-methyl-1,5,6,7-tetrahydroindol-4-one3-methyl-4-oxo-4,5,6,7-tetrahydroindole3-methyl-4-oxo-4,5,6,7-tetrahydro-1h-indoleF1754-0018SCHEMBL7683053DTXSID10402319SNHVQHNXQVXZOU-UHFFFAOYSA-N
Show more names
3-Methyl-1,5,6,7-tetrahydro-indol-4-one1,5,6,7-Tetrahydro-3-methyl-4H-indol-4-one4H-Indol-4-one, 1,5,6,7-tetrahydro-3-methyl-
GAA577953-methyl-5,6,7-trihydroindol-4-oneAKOS000320642CS-0242460ST500730963-methyl-6,7-dihydro-1H-indole-4(5H)-onD86176EN300-249598
Database identifiers
- CAS
6577-95-3- PubChem CID
- 4357380
- DTXSID
DTXSID10402319- EC Number
- 964-652-6
- Nikkaji
- J2.257.119B
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 32.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Melting point
- 208 · 208-209 °C
- Boiling point
- 325.8 · 325.8±21.0 °C(Predicted)
- Density
- 1.171 · 1.171±0.06 g/cm3(Predicted)
- pka
- 16.21 · 16.21±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Related reactions
1 records
Compound notes
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