p-tert-Butylphenyl methylcarbamate
Basic information
- CAS
2626-83-7- Standard SMILES
CNC(=O)Oc1ccc(C(C)(C)C)cc1- InChIKey
SQWINKDZQCVJNM-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592879
Overview
See also: 4-(Tert-butyl)-phenyl N-methylcarbamate (annotation moved to).
Names & identifiers
- Preferred name
- p-tert-Butylphenyl methylcarbamate
- IUPAC
- (4-tert-butylphenyl) N-methylcarbamate
- English name
- PARA-(TERT-BUTYL)-PHENYL-N-METHYLCARBAMATE
- Molecular formula
- C12H17NO2
- Molecular weight
- 207.27
Names & synonyms
2626-83-74-tert-butylphenyl methylcarbamatep-(tert-butyl)-phenyl-n-methylcarbamatep-tert-Butylphenyl methylcarbamateCarbamic acid, methyl-, p-tert-butylphenyl ester4-(1,1-dimethylethyl)phenyl methylcarbamateDTXSID0022195SCHEMBL11801182AKOS024333931PARA-(TERT-BUTYL)-PHENYL-N-METHYLCARBAMATE4-(1,1-Dimethylethyl)phenol-1-(N-methylcarbamate)4-(TERT-BUTYL)-PHENYL N-METHYLCARBAMATE
Show more names
Phenol, 4-(1,1-dimethylethyl)-, 1-(N-methylcarbamate)
Database identifiers
- CAS
2626-83-7- PubChem CID
- 75814
- DTXSID
DTXSID0022195- Nikkaji
- J747.738D
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 212
Experimental & physicochemical properties
LogP3.06
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H302
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317-H302
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501
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Related reactions
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Compound notes
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