Chemical identity

((1S,4R)-4-Aminocyclopent-2-en-1-yl)methanol hydrochloride

CAS 168960-19-8 · C6H12ClNO

01Identity

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

Lazychem IDLC-04407
PubChem CID53471860
Name((1S,4R)-4-Aminocyclopent-2-en-1-yl)methanol hydrochloride
CAS RN168960-19-8
Molecular formulaC6H12ClNO
Molecular weight149.62 g/mol
IUPAC name(1S,4R)-4-Amino-2-cyclopentene-1-methanol Hydrochloride
InChIKeyDFJSXBUVSKWALM-IBTYICNHSA-N

02Structure identifiers

2D structurePubChem CID 53471860
2D structure: ((1S,4R)-4-Aminocyclopent-2-en-1-yl)methanol hydrochloride, CAS 168960-19-8
Structure of ((1S,4R)-4-Aminocyclopent-2-en-1-yl)methanol hydrochloride (CAS 168960-19-8). LazyChem record. Source identity: PubChem CID 53471860. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC6H12ClNO
InChIKeyDFJSXBUVSKWALM-IBTYICNHSA-N
Ring count1
Defined stereocentres2
Unassigned stereocentres0
SMILESC1[C@@H](C=C[C@@H]1N)CO.Cl
InChIInChI=1S/C6H11NO.ClH/c7-6-2-1-5(3-6)4-8;/h1-2,5-6,8H,3-4,7H2;1H/t5-,6+;/m1./s1

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres22D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

1 record

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.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

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 / RCSNOT FOUND IN REVIEWED ENTRIESCAS 168960-19-8 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 168960-19-8 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Abacavir

View API and impurity family

Other names

  • Abacavir Impurity 3 (HCl salt)
  • [(1S,4R)-4-aminocyclopent-2-en-1-yl]methanol
  • hydrochloride
  • (1S-cis)-4-Amino-2-cyclopentene-1-methanol Hydrochloride
  • (1S,4R)-4-AMINO-CYCLOPENT-2-ENYL-METHANOL HYDROCHLORIDE
  • (1S,4R)-4-Amino-2-Cyclopentene-1-Methanol HCl
  • [(1R,4S)-4-4-amino-2-cyclopentene-1-methanol HCl
  • (+/-)-cis-4-amino-2-cyclopentene-1-methanol hydrochloride
  • 2-Cyclopentene-1-methanol, 4-amino-, hydrochloride (1:1), (1S,4R)-

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