Basic information
- CAS
15944-43-1- Standard SMILES
O=C(Nc1cccc(Cl)c1)OCC#CCN1CCCC1- InChIKey
ARFAGUMSEYHDPD-UHFFFAOYSA-N- Molecular formula
- C15H17ClN2O2
- Average molar mass
- 292.76 g/mol
- Monoisotopic mass
- 292.0978555
Names & identifiers
- Preferred name
- Carbanilic acid, m-chloro-, 4-(1-pyrrolidinyl)-2-butynyl ester
- IUPAC
- 4-pyrrolidin-1-ylbut-2-ynyl N-(3-chlorophenyl)carbamate
- English name
- m-Chlorocarbanilic acid 4-(1-pyrrolidinyl)-2-butynyl ester
- Molecular formula
- C15H17ClN2O2
- Molecular weight
- 292.76
Names & synonyms
15944-43-1CARBANILIC ACID, m-CHLORO-, 4-(1-PYRROLIDINYL)-2-BUTYNYL ESTERm-Chlorocarbanilic acid 4-(1-pyrrolidinyl)-2-butynyl esterL8YE647ST74-(1-Pyrrolidinyl)-2-butynyl m-chlorocarbanilateNSC-107013DTXSID70166662RefChem:1081094DTXCID4089153MLS0027039514-pyrrolidin-1-ylbut-2-ynyl N-(3-chlorophenyl)carbamateNSC 107013
Show more names
Carbamic acid, (3-chlorophenyl)-, 4-(1-pyrrolidinyl)-2-butynyl ester (9CI)
BRN 1386883NSC107013UNII-L8YE647ST7CHEMBL1871440SMR0015706634-(pyrrolidin-1-yl)but-2-yn-1-yl (3-chlorophenyl)carbamate
Database identifiers
- CAS
15944-43-1- PubChem CID
- 27574
- DTXSID
DTXSID70166662- ChEMBL
CHEMBL1871440- UNII
- L8YE647ST7
- Nikkaji
- J69.428B
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 382
Physicochemical properties
- Boiling point
- 384.4 · 384.4±37.0 °C(Predicted)
- Density
- 1.275 · 1.275±0.06 g/cm3(Predicted)
- pka
- 12.33 · 12.33±0.70(Predicted)
- FDA UNII
- 8 YE647ST7 · L8YE647ST7
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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