Chemical identity

(S)-(−)-α-Methylbenzyl isocyanate

CAS 14649-03-7 · C9H9NO

01Identity

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

Lazychem IDLC-00743
PubChem CID2724173
Name(S)-(−)-α-Methylbenzyl isocyanate
CAS RN14649-03-7
Molecular formulaC9H9NO
Molecular weight147.17 g/mol
IUPAC name(S)-(−)-α-Methylbenzyl isocyanate
InChIKeyJJSCUXAFAJEQGB-QMMMGPOBSA-N

02Structure identifiers

2D structurePubChem CID 2724173
Two-dimensional chemical structure of (S)-(−)-α-Methylbenzyl isocyanate, CAS 14649-03-7
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres1
Unassigned stereocentres0
Ring count1
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[C@@H](C1=CC=CC=C1)N=C=O
InChINot listed
Formula from structureC9H9NO
Molecular weight from structure147.17 g/mol

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

2 records

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

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 14649-03-7 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 14649-03-7 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

Chemical

View associated product family

Other names

  • (S)-(-)-1-Phenylethyl isocyanate
  • Benzene, [(1S)-1-isocyanatoethyl]-
  • RefChem:407666
  • 14649-03-7
  • [(1S)-1-isocyanatoethyl]benzene
  • (S)-(-)-alpha-Methylbenzyl isocyanate
  • MFCD00002036
  • (S)-(-)-
  • A-Methylbenzyl isocyanate
  • (s)-(1-isocyanatoethyl)benzene
  • (1-Isocyanatoethyl)benzene #
  • (S)-methyl benzylisocyanate

Related records from the same parent family

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