Basic information
- CAS
7309-42-4- Standard SMILES
CN1C2CCC1CC(=O)NC2- InChIKey
ZPLMTUXXQQUKDH-UHFFFAOYSA-N- Molecular formula
- C8H14N2O
- Average molar mass
- 154.21 g/mol
- Monoisotopic mass
- 154.11061307
Names & identifiers
- Preferred name
- 9-Methyl-3,9-diazabicyclo(4.2.1)nonan-4-one
- IUPAC
- 9-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one
- English name
- 9-Methyl-3,9-diazabicyclo[4.2.1]nonan-4-one
- Molecular formula
- C8H14N2O
- Molecular weight
- 154.21
Names & synonyms
9-Methyl-3,9-diazabicyclo[4.2.1]nonan-4-one7309-42-4DTXSID103396369-Methyl-3,9-diazabicyclo(4.2.1)nonan-4-oneRefChem:313187DTXCID50290717806-875-29-Methyl-3,9-diaza-bicyclo[4.2.1]nonan-4-oneMFCD086938353,9-Diazabicyclo[4.2.1]nonan-4-one, 9-methyl-SCHEMBL1987941AKOS000279678
Show more names
EOS-609329-Methyl-3,9-diaza-bicyclo4.2.1non-4-one
AKOS016845824AB44653SS-4647DB-307559CS-03411009-Methyl-3,9-diazabicyclo[4.2.1]nonan-4-one #
Database identifiers
- CAS
7309-42-4- PubChem CID
- 557466
- DTXSID
DTXSID10339636- EC Number
- 806-875-2
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Melting point
- 88 °C · 88 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 312.7 · 312.7±35.0 °C(Predicted)
- Density
- 1.068 · 1.068±0.06 g/cm3(Predicted)
- pka
- 16.08 · 16.08±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
- Precautionary statements
- 271 · P271-P260-P280
- HS Code
- 2933790090 · 2933790090
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]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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 CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Acute Tox. 4 (100%)
Safety data
- hs_code
- 2933790090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332
- Precautionary statements
- P271-P260-P280
Chemistry & industry
Suppliers5 total
上海景容化学科技有限公司021-60546673 13701861782 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 13651849907 · [email protected]
德州博腾精细化工有限公司[email protected]
Hefei Hirisun Pharmatech Co., Ltd+8615056975894 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Related reactions
6 records
Compound notes
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