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518047-98-8

Basic Information
CAS No.: 518047-98-8
Name: BENZYL [2-AMINO-2-(HYDROXYIMINO)-1,1-DIMETHYLETHYL]CARBAMATE
Article Data: 12
Molecular Structure:
Molecular Structure of 518047-98-8 (BENZYL [2-AMINO-2-(HYDROXYIMINO)-1,1-DIMETHYLETHYL]CARBAMATE)
Formula: C12H17N3O3
Molecular Weight: 251.285
Synonyms: Carbamicacid, [2-(hydroxyamino)-2-imino-1,1-dimethylethyl]-, phenylmethyl ester (9CI);Benzyl [2-amino-2-(hydroxyimino)-1,1-dimethylethyl]carbamate;
Density: 1.2 g/cm3
Melting Point: 160.0-160.5 °C
PSA: 96.94000
LogP: 2.52900
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Chemistry

Product Name: Carbamicacid, N-[2-(hydroxyamino)-2-imino-1,1-dimethylethyl]-, phenylmethyl ester (CAS NO.518047-98-8)

Molecular Formula: C12H17N3O3
Molecular Weight: 251.2817g/mol
Mol File: 518047-98-8.mol
Density: 1.2 g/cm3
Surface Tension: 45.2 dyne/cm
XLogP3-AA: 1.2
H-Bond Donor: 3
H-Bond Acceptor: 5
Structure Descriptors of Carbamicacid, N-[2-(hydroxyamino)-2-imino-1,1-dimethylethyl]-, phenylmethyl ester (CAS NO.518047-98-8):
  IUPAC Name: benzyl N-[(1E)-1-amino-1-hydroxyimino-2-methylpropan-2-yl]carbamate
  Canonical SMILES: CC(C)(C(=NO)N)NC(=O)OCC1=CC=CC=C1
  Isomeric SMILES: CC(C)(/C(=N\O)/N)NC(=O)OCC1=CC=CC=C1
  InChI: InChI=1S/C12H17N3O3/c1-12(2,10(13)15-17)14-11(16)18-8-9-6-4-3-5-7-9/h3-7,17H,8H2,1-2H3,(H2,13,15)(H,14,16) 
  InChIKey: WWSJZCLRWHEHPA-UHFFFAOYSA-N 

Specification

 Carbamicacid, N-[2-(hydroxyamino)-2-imino-1,1-dimethylethyl]-, phenylmethyl ester , its CAS NO. is 518047-98-8, the synonym is Benzyl [2-amino-2-(hydroxyimino)-1,1-dimethylethyl]carbamate .