Chemical identity

N-Nitrosodiisononylamine (NDINA)

CAS 1207995-62-7 · C18H38N2O

01Identity

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

Lazychem IDLC-22728
PubChem CID71751127
NameN-Nitrosodiisononylamine (NDINA)
CAS RN1207995-62-7
Molecular formulaC18H38N2O
Molecular weight298.50 g/mol
IUPAC nameN,N-bis(3,5,5-trimethylhexyl)nitrous amide
InChIKeyJAXCREYHJGJFGI-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 71751127
Two-dimensional chemical structure of N-Nitrosodiisononylamine (NDINA), CAS 1207995-62-7
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
SMILESCC(CCN(CCC(C)CC(C)(C)C)N=O)CC(C)(C)C
InChINot listed
Formula from structureC18H38N2O
Molecular weight from structure298.50 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 1207995-62-7 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1207995-62-7 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

N-Nitroso

View associated product family

Other names

  • N-Nitrosodiisononylamine
  • N-Nitroso-N, N-di(3, 5, 5-trimethylhexyl)amine
  • 3, 5, 5-Trimethyl-N-nitroso-N-(3, 5, 5-trimethylhexyl)-1-hexanamine
  • 1-Hexanamine, 3, 5, 5-trimethyl-N-nitroso-N-(3, 5, 5-trimethylhexyl)-
  • N,N-Bis(3,5,5-trimethylhexyl)nitrous amide
  • 1207995-62-7
  • DTXSID40858204
  • RefChem:1090395
  • DTXCID80808945
  • N-Nitroso-N,N-di(3,5,5-trimethylhexyl)amine (>85%)
  • 3,5,5-Trimethyl-N-nitroso-N-(3,5,5-trimethylhexyl)-1-hexanamine
  • 1-Hexanamine, 3,5,5-trimethyl-N-nitroso-N-(3,5,5-trimethylhexyl)-

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