Basic information
- CAS
1083245-99-1- Standard SMILES
CCCN1CC(N)CC1=O- InChIKey
YDSUJYPZJPWCOL-UHFFFAOYSA-N- Molecular formula
- C7H14N2O
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.11061307
Names & identifiers
- Preferred name
- 4-Amino-1-propylpyrrolidin-2-one
- IUPAC
- 4-amino-1-propylpyrrolidin-2-one
- English name
- 4-Amino-1-propyl-2-pyrrolidinone
- Molecular formula
- C7H14N2O
- Molecular weight
- 142.2
Names & synonyms
4-amino-1-propylpyrrolidin-2-one1083245-99-14-AMINO-1-PROPYL-2-PYRROLIDINONESCHEMBL14275606AKOS005287643CS-0297841EN300-2534452-Pyrrolidinone, 4-amino-1-propyl-
Database identifiers
- CAS
1083245-99-1- PubChem CID
- 43521156
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Boiling point
- 268.3 · 268.3±33.0 °C(Predicted)
- Density
- 1.03 · 1.030±0.06 g/cm3(Predicted)
- pka
- 7.68 · 7.68±0.20(Predicted)
- HazardClass
- IRRITANT
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
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers1 total
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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