phenyl N-benzylcarbamate
PubChem CID
176410
Structure
Molecular Formula
Synonyms
- phenyl N-benzylcarbamate
- 22003-17-4
- phenyl benzylcarbamate
- Carbamic acid,N-(phenylmethyl)-, phenyl ester
- phenylbenzylcarbamate
Molecular Weight
227.26 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-26
- Modify:2025-01-18
See also: Phenyl carbamate (annotation moved to).
Chemical Structure Depiction
phenyl N-benzylcarbamate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C14H13NO2/c16-14(17-13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1-10H,11H2,(H,15,16)
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
FFXFWNLKXAIQRM-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C1=CC=C(C=C1)CNC(=O)OC2=CC=CC=C2
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C14H13NO2
Computed by PubChem 2.2 (PubChem release 2021.10.14)
22003-17-4
- phenyl N-benzylcarbamate
- 22003-17-4
- phenyl benzylcarbamate
- Carbamic acid,N-(phenylmethyl)-, phenyl ester
- phenylbenzylcarbamate
- NSC617194
- (PHENYLMETHYL)-CARBAMIC ACID PHENYL ESTER
- SCHEMBL5108159
- DTXSID70944604
- FFXFWNLKXAIQRM-UHFFFAOYSA-N
- Phenyl hydrogen benzylcarbonimidate
- MFCD00748262
- AKOS008916435
- FA-0003
- NSC-617194
- CS-0362596
- Carbamic acid, N-(phenylmethyl)-, phenyl ester
- AL-398/40018676
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
227.26 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
3
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
227.094628657 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
227.094628657 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
38.3 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
17
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
230
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Phenyl carbamate (annotation moved to)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=FFXFWNLKXAIQRM-UHFFFAOYSA-N
- ChemIDplusCarbamic acid, N-(phenylmethyl)-, phenyl esterhttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0022003174ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSToxPhenyl hydrogen benzylcarbonimidatehttps://comptox.epa.gov/dashboard/DTXSID70944604
- DTP/NCILICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuseCarbamic acid, phenyl esterhttps://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=617194
- Japan Chemical Substance Dictionary (Nikkaji)
- SpectraBasePhenyl benzylcarBamatehttps://spectrabase.com/spectrum/KT3KtR5nKE5
- Springer Nature
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- WikidataPhenyl hydrogen benzylcarbonimidatehttps://www.wikidata.org/wiki/Q82921846
- PubChem
- PATENTSCOPE (WIPO)SID 403457934https://pubchem.ncbi.nlm.nih.gov/substance/403457934
CONTENTS