Basic information
- CAS
32234-95-0- Standard SMILES
CCCCN1CCC[C@@H](OC(=O)Nc2c(C)cccc2Cl)C1- InChIKey
SUGBVZMJIRBHEZ-CQSZACIVSA-N- Molecular formula
- C17H25ClN2O2
- Average molar mass
- 324.8 g/mol
- Monoisotopic mass
- 324.1604557
Names & identifiers
- Preferred name
- Carbanilic acid, 2-chloro-6-methyl-, N-n-butyl-3-piperidyl ester (R(+))
- IUPAC
- [(3R)-1-butylpiperidin-3-yl] N-(2-chloro-6-methylphenyl)carbamate
- English name
- N-(2-Chloro-6-methylphenyl)carbamic acid [3R,(+)]-1-butyl-3-piperidinyl ester
- Molecular formula
- C17H25ClN2O2
- Molecular weight
- 324.85
Names & synonyms
32234-95-0CARBANILIC ACID, 2-CHLORO-6-METHYL-, N-n-BUTYL-3-PIPERIDYL ESTER (R(+))RefChem:1081071BRN 1545815R(+)-HS 37(R)-(+)-2-Chloro-6-methylcarbanilic acid, 1-butyl-3-piperidyl esterR(+)-(N-n-Butyl-3-piperidyl 2'-chloro-6'-methylcarbanilate)N-(2-Chloro-6-methylphenyl)carbamic acid [3R,(+)]-1-butyl-3-piperidinyl esterCarbamic acid, (2-chloro-6-methylphenyl)-, 1-butyl-3-piperidinyl ester, (R)- (9CI)
Database identifiers
- CAS
32234-95-0- PubChem CID
- 36092
- Nikkaji
- J42.826D
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 354
Physicochemical properties
- Toxicity
- 50 intravenous · LD50 intravenous in mouse: 8mg/kg
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
- Toxicity
- LD50 intravenous in mouse: 8mg/kg
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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