4-Amino-2-pyrrolidin-1-yl-benzamide
Basic information
- CAS
878620-22-5- Standard SMILES
NC(=O)c1ccc(N)cc1N1CCCC1- InChIKey
GFWZQYMPIZWQDE-UHFFFAOYSA-N- Molecular formula
- C11H15N3O
- Average molar mass
- 205.26 g/mol
- Monoisotopic mass
- 205.12151211
Names & identifiers
- Preferred name
- 4-Amino-2-pyrrolidin-1-yl-benzamide
- IUPAC
- 4-amino-2-pyrrolidin-1-ylbenzamide
- English name
- CHEMBRDG-BB 7467282
- Molecular formula
- C11H15N3O
- Molecular weight
- 205.26
Names & synonyms
878620-22-54-AMINO-2-(1-PYRROLIDINYL)BENZAMIDE4-Amino-2-pyrrolidin-1-yl-benzamide4-amino-2-(pyrrolidin-1-yl)benzamide4-amino-2-pyrrolidin-1-ylbenzamideMFCD073912654-amino-2-pyrrolidinylbenzamideDTXSID10424576SBB011117AKOS000300688BS-36907CS-0319272
Show more names
CHEMBRDG-BB 7467282TIMTEC-BB SBB011117Benzamide, 4-amino-2-(1-pyrrolidinyl)-4-amino-2-(1-pyrrolidinyl)benzamide(SALTDATA: FREE)
F16597F315483
Database identifiers
- CAS
878620-22-5- PubChem CID
- 6486809
- DTXSID
DTXSID10424576
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 72.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Boiling point
- 422.3 · 422.3±40.0 °C(Predicted)
- Density
- 1.244 · 1.244±0.06 g/cm3(Predicted)
- pka
- 16.6 · 16.60±0.50(Predicted)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
- 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
- risk_code
- 36
- hazard_code
- Xi
- safety_code
- 26
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…