Chemical identity

N-Isopropyldopamine Hydrochloride

CAS 5178-52-9 · C11H18ClNO2

01Identity

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

Lazychem IDLC-21320
PubChem CID199872
NameN-Isopropyldopamine Hydrochloride
CAS RN5178-52-9
Molecular formulaC11H18ClNO2
Molecular weight231.72 g/mol
IUPAC name4-[2-[(1-Methylethyl)amino]ethyl]-1,2-benzenediol Hydrochloride
InChIKeyMRYVSCVPICTKEY-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 199872
Two-dimensional chemical structure of N-Isopropyldopamine Hydrochloride, CAS 5178-52-9
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, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count1
Secondary amines1
Tertiary amines0
N-methyl amine sites0
SMILESOC1=CC=C(CCNC(C)C)C=C1O.[H]Cl
InChINot listed
Formula from structureC11H18ClNO2
Molecular weight from structure231.72 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 N-Isopropyldopamine Hydrochloride 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 N-Isopropyldopamine Hydrochloride, 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
C11H17ClN2O3
Candidate SMILES
CC(C)N(CCc1ccc(O)c(O)c1)N=O.Cl

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 5178-52-9 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 5178-52-9 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

Isoproterenol

View API and impurity family

Other names

  • Desoxyisoprenaline hydrochloride
  • 1-(3,4-Dihydroxyphenyl)-2-isopropylaminoethane hydrochloride
  • 4-{2-[(propan-2-yl)amino]ethyl}benzene-1,2-diol hydrochloride
  • 1,2-Benzenediol, 4-[2-[(1-methylethyl)amino]ethyl]-, hydrochloride (1:1)

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