Chemical identity

N-Nitrosodiisopropanolamine

CAS 53609-64-6 · C6H14N2O3

01Identity

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

Lazychem IDLC-22729
PubChem CID40828
NameN-Nitrosodiisopropanolamine
CAS RN53609-64-6
Molecular formulaC6H14N2O3
Molecular weight162.19 g/mol
IUPAC name1,1'-(Nitrosoimino)bis-2-propanol
InChIKeyMNIGYIKCFSPQRJ-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 40828
Two-dimensional chemical structure of N-Nitrosodiisopropanolamine, CAS 53609-64-6
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure is acyclic, includes aliphatic carbon, contains an N-nitroso substructure. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres2
Ring count0
Secondary amines0
Tertiary amines1
N-methyl amine sites0
SMILESO=NN(CC(O)C)CC(O)C
InChINot listed
Formula from structureC6H14N2O3
Molecular weight from structure162.19 g/mol

03Stereochemistry

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

Defined centres0Structure assigned
Unassigned centres2Structure unspecified
Assignment statusUnassignedExact 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 / RCSNO EXACT MATCH FOUNDCAS 53609-64-6 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 53609-64-6 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

No parent compound is listed.

Other names

  • N,N-bis(2-hydroxypropyl)nitrous amide
  • Di(2-hydroxypropyl)nitrosamine
  • N,N-Di-(2-hydroxypropyl)nitrosamine
  • 2,2′-Dihydroxy-di-n-propylnitrosoamine
  • 2,2′-Bishydroxypropylnitrosamine

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