N-(4-Amino-2-methyl-phenyl)-2-pyrrolidin-1-yl-acetamide
Basic information
- CAS
436090-52-7- Standard SMILES
Cc1cc(N)ccc1NC(=O)CN1CCCC1- InChIKey
NGMMOWLGEFIAAV-UHFFFAOYSA-N- Molecular formula
- C13H19N3O
- Average molar mass
- 233.31 g/mol
- Monoisotopic mass
- 233.15281224
Names & identifiers
- Preferred name
- N-(4-Amino-2-methyl-phenyl)-2-pyrrolidin-1-yl-acetamide
- IUPAC
- N-(4-amino-2-methylphenyl)-2-pyrrolidin-1-ylacetamide
- English name
- N-(4-AMINO-2-METHYL-PHENYL)-2-PYRROLIDIN-1-YL-ACETAMIDE
- Molecular formula
- C13H19N3O
- Molecular weight
- 233.31
Names & synonyms
N-(4-Amino-2-methyl-phenyl)-2-pyrrolidin-1-yl-acetamide436090-52-7N-(4-amino-2-methylphenyl)-2-pyrrolidin-1-ylacetamideN-(4-amino-2-methylphenyl)-2-(pyrrolidin-1-yl)acetamideN-(4-Amino-2-methylphenyl)-1-pyrrolidineacetamideHMS2870E091-Pyrrolidineacetamide,N-(4-amino-2-methylphenyl)-3469AEMLS001210707CHEMBL1393446DTXSID80357665AKOS000135080
Show more names
1-Pyrrolidineacetamide, N-(4-amino-2-methylphenyl)-
ASN 05254109SMR000523232SR-01000326842SR-01000326842-1
Database identifiers
- CAS
436090-52-7- PubChem CID
- 858296
- DTXSID
DTXSID80357665- ChEMBL
CHEMBL1393446
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 263
Experimental & physicochemical properties
Solubility23.1 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Hazard Codes
- Xi
- 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_code
- Xi
- hazard_class
- IRRITANT
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Related reactions
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Compound notes
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