Basic information
- CAS
100789-69-3- Standard SMILES
CCC(C)c1ccc(OC(=O)NC)cc1- InChIKey
SAHIEIKAICLWTR-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592879
Names & identifiers
- Preferred name
- 4-(Butan-2-yl)phenyl hydrogen methylcarbonimidate
- IUPAC
- (4-butan-2-ylphenyl) N-methylcarbamate
Names & synonyms
100789-69-3DTXSID409057424-(Butan-2-yl)phenyl hydrogen methylcarbonimidateRefChem:1070054DTXCID701334843Geigy G-35234R 698ENT 25,759-XSCHEMBL10642349
Database identifiers
- CAS
100789-69-3- PubChem CID
- 58007
- DTXSID
DTXSID40905742- Nikkaji
- J1.582.540E
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 198
Experimental & physicochemical properties
LogP3.2
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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