Structure & Deep Data of Tert-Butyl 4-(Hydroxymethyl)benzylcarbamate (C13H19NO3)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The tert-Butyl 4-(Hydroxymethyl)benzylcarbamate molecule contains a total of 36 bond(s). There are 17 non-H bond(s), 7 multiple bond(s), 5 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 (thio-) carbamate(s) (aliphatic), 1 hydroxyl group(s), and 1 primary alcohol(s). Images of the chemical structure of tert-Butyl 4-(Hydroxymethyl)benzylcarbamate are given below:

The 2D chemical structure image of tert-Butyl 4-(Hydroxymethyl)benzylcarbamate is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of tert-Butyl 4-(Hydroxymethyl)benzylcarbamate are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of tert-Butyl 4-(Hydroxymethyl)benzylcarbamate is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of tert-Butyl 4-(Hydroxymethyl)benzylcarbamate. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Tert-Butyl 4-(Hydroxymethyl)benzylcarbamate Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of tert-Butyl 4-(Hydroxymethyl)benzylcarbamate

  The SMILES string of tert-Butyl 4-(Hydroxymethyl)benzylcarbamate is CC(C)(C)OC(=O)NCc1ccc(CO)cc1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the tert-Butyl 4-(Hydroxymethyl)benzylcarbamate.

• Structure Data File (SDF/MOL File) of tert-Butyl 4-(Hydroxymethyl)benzylcarbamate

  The structure data file (SDF/MOL File) of tert-Butyl 4-(Hydroxymethyl)benzylcarbamate is available for download in the SDF page of tert-Butyl 4-(Hydroxymethyl)benzylcarbamate, which provides the information about the atoms, bonds, connectivity and coordinates of tert-Butyl 4-(Hydroxymethyl)benzylcarbamate. The tert-Butyl 4-(Hydroxymethyl)benzylcarbamate structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of tert-Butyl 4-(Hydroxymethyl)benzylcarbamate

  The molecular formula of tert-Butyl 4-(Hydroxymethyl)benzylcarbamate is available in chemical formula page of tert-Butyl 4-(Hydroxymethyl)benzylcarbamate, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of tert-Butyl 4-(Hydroxymethyl)benzylcarbamate

  The molecular weight of tert-Butyl 4-(Hydroxymethyl)benzylcarbamate is available in molecular weight page of tert-Butyl 4-(Hydroxymethyl)benzylcarbamate, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of tert-Butyl 4-(Hydroxymethyl)benzylcarbamate

  The tert-Butyl 4-(Hydroxymethyl)benzylcarbamate compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of tert-Butyl 4-(Hydroxymethyl)benzylcarbamate including the various registry numbers, if available:

  • N-[[4-(hydroxymethyl)phenyl]methyl]carbamic acid tert-butyl ester
  • (4-HYDROXYMETHYL-BENZYL)-CARBAMIC ACID TER-BUTYL ESTER
  • (4-HYDROXYMETHYLbenzyl)carbaMIC ACID TERT-BUTYL ESTER
  • 4-[n-(tert-butoxycarbonyl)aminomethyl]-1-phenylmethanol
  • tert-Butyl {[4-(hydroxymethyl)phenyl]methyl}carbamate
  • I14-35472
  • (4-hydroxymethyl-benzyl)-carbamic acid t-butyl ester
  • (4-hydroxymethyl-benzyl)-carbamic acid ter-butyl e
  • A805181
  • 4-[N-(t-butoxycarbonyl)aminomethyl]benzyl alcohol

  • 4-(Boc-aminomethyl-phenyl)-methanol, AldrichCPR
  • K-1789
  • Y7292
  • N-BOC-4-(HYDROXYMETHYL)-BENZYLAMINE
  • 4-(BOC-AMINOMETHYL-PHENYL)-METHANOL
  • N-BOC-4-(HYDROXYMETHYL)BENZYLAMINE
  • BBV-44995299
  • tert-Butyl 4-hydroxymethylbenzylcarbamate
  • ANW-56437
  • 4-(N-boc-aminomethyl)benzyl alcohol

  • (tert-butoxy)-N-{[4-(hydroxymethyl)phenyl]methyl}carboxamide
  • tert-butyl (4-(hydroxymethyl)benzyl)carbamate
  • MFCD06411553
  • 4-(N-TERT-BUTOXYCARBONYLAMINOMETHYL)BENZYL ALCOHOL
  • tert-butyl N-[[4-(hydroxymethyl)phenyl]methyl]carbamate
  • W-205184
  • 4-(tert-butoxycarbonylaminomethyl)benzyl alcohol
  • 4-(Aminomethyl)benzyl alcohol, N-BOC protected
  • Carbamic acid,N-[[4-(hydroxymethyl)phenyl]methyl]-, 1,1-dimethylethyl ester
  • N-Boc-4-(aminomethyl)benzyl Alcohol

  • tert-Butyl [4-(hydroxymethyl)benzyl]carbamate
  • (4-HYDROXYMETHYL-BENZYL)-CARBAMIC ACID TERT-BUTYL ESTER
  • tert-Butyl 4-(Hydroxymethyl)benzylcarbamate
  • 123986-64-1

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Tert-Butyl 4-(Hydroxymethyl)benzylcarbamate Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of tert-Butyl 4-(Hydroxymethyl)benzylcarbamate?
C13H19NO3
How many atoms and what are the elements included the tert-Butyl 4-(Hydroxymethyl)benzylcarbamate molecule?
36 atom(s) - 19 Hydrogen atom(s), 13 Carbon atom(s), 1 Nitrogen atom(s), and 3 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the tert-Butyl 4-(Hydroxymethyl)benzylcarbamate structure?
36 bond(s) - 17 non-H bond(s), 7 multiple bond(s), 5 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 (thio-) carbamate(s) (aliphatic), 1 hydroxyl group(s), and 1 primary alcohol(s)
What’s the tert-Butyl 4-(Hydroxymethyl)benzylcarbamate’s molecular weight?
237.29486 g/mol
What’s the SMILES code of tert-Butyl 4-(Hydroxymethyl)benzylcarbamate?
CC(C)(C)OC(=O)NCc1ccc(CO)cc1
What’s the InChI string of tert-Butyl 4-(Hydroxymethyl)benzylcarbamate?
InChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14-8-10-4-6-11(9-15)7-5-10/h4-7,15H,8-9H2,1-3H3,(H,14,16)
What’s the InChIKey code of tert-Butyl 4-(Hydroxymethyl)benzylcarbamate?
KUEPOWVQABAWRK-UHFFFAOYSA-N

7 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).