Chemical identity

Benzhydrylaminoacetic Acid tert-Butyl Ester

CAS 158980-46-2 · C19H23NO2

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-07923
PubChem CID11087797
NameBenzhydrylaminoacetic Acid tert-Butyl Ester
CAS RN158980-46-2
Molecular formulaC19H23NO2
Molecular weight297.39 g/mol
IUPAC nametert-Butyl(diphenylmethylamino)ethanoate
InChIKeyZWWNPSADOUWQRL-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 11087797
Two-dimensional chemical structure of Benzhydrylaminoacetic Acid tert-Butyl Ester, CAS 158980-46-2
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count2
Secondary amines1
Tertiary amines0
N-methyl amine sites0
SMILESCC(C)(C)OC(=O)CNC(C1=CC=CC=C1)C2=CC=CC=C2
InChINot listed
Formula from structureC19H23NO2
Molecular weight from structure297.39 g/mol

03Possible N-nitroso structures

Shown for structural screening only. These candidates are not confirmed impurities, formation predictions or analytical findings.

Matched amine site1 candidate
Chemical structure of Benzhydrylaminoacetic Acid tert-Butyl Ester with the matched amine site highlighted in amber
Amber identifies the screened atom and adjacent bonds.
Possible structure candidateUnverified identity
First calculated possible N-nitroso structure derived from Benzhydrylaminoacetic Acid tert-Butyl Ester, with the new N-nitroso group highlighted in amber
The new N-N=O atoms and bonds are highlighted. No CAS number or compound name is assigned by this calculation.
Candidate 1Possible N-nitroso structural candidate
Calculated formula
C19H22N2O3
Candidate SMILES
CC(C)(C)OC(=O)CN(N=O)C(c1ccccc1)c1ccccc1

Interpretation: A structural alert alone does not establish that a nitrosamine forms. Evaluate nitrite sources, amine reagents, pH, temperature, process sequence, purge and analytical evidence.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 158980-46-2 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 158980-46-2 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Benzhydrylamine

View API and impurity family

Other names

  • 2-methyl-2-propanyl n-(diphenylmethyl)glycinate
  • N-(Diphenylmethyl)glycine 1, 1-Dimethylethyl Ester
  • tert-Butyl N-(diphenylmethyl)glycinate
  • 158980-46-2
  • DTXSID30454799
  • RefChem:383811
  • DTXCID60405618
  • BENZHYDRYLAMINOACETIC ACID TERT-BUTYL ESTER
  • Tert-butyl 2-(benzhydrylamino)acetate
  • TERT-BUTYL 2-[(DIPHENYLMETHYL)AMINO]ACETATE
  • tert-Butyl(diphenylmethylamino)ethanoate
  • N-(Diphenylmethyl)glycine 1,1-Dimethylethyl Ester

Related records from the same parent family

No related records are linked by parent name.

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources