Basic information
- Standard SMILES
CC1(CN)CCC(=O)N1- InChIKey
YEMHTMAJVSSDKA-UHFFFAOYSA-N- Molecular formula
- C6H12N2O
- Average molar mass
- 128.17 g/mol
Names & identifiers
- Preferred name
- 5-(Aminomethyl)-5-methylpyrrolidin-2-one
- IUPAC
- 5-(aminomethyl)-5-methylpyrrolidin-2-one
- English name
- 5-(Aminomethyl)-5-methylpyrrolidin-2-one
- Molecular formula
- C6H12N2O
- Molecular weight
- 128.17
Names & synonyms
5-(aminomethyl)-5-methylpyrrolidin-2-one1314906-58-5CHEMBL4566492SCHEMBL16211751YEMHTMAJVSSDKA-UHFFFAOYSA-NAKOS0063639885-aminomethyl-5-methyl-pyrrolidin-2-one5-(Aminomethyl)-5-methyl-2-pyrrolidinone5-(aminomethyl)-5-methyl-pyrrolidin-2-oneDB-427002CS-0444419EN300-250768
Show more names
2-Pyrrolidinone, 5-(aminomethyl)-5-methyl-
P12541
Database identifiers
- CAS
1314906-58-5- ChEMBL
CHEMBL4566492
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 135
Physicochemical properties
- Boiling point
- 294.9 · 294.9±13.0 °C(Predicted)
- Density
- 1.03 · 1.030±0.06 g/cm3(Predicted)
- pka
- 16.12 · 16.12±0.40(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 13651849907 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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