Basic information
- CAS
114136-87-7- Standard SMILES
CC(C)(CNCCCCCCNCC(C)(C)[N+](=O)[O-])[N+](=O)[O-]- InChIKey
RWKWYSIDDAGTKA-UHFFFAOYSA-N- Molecular formula
- C14H30N4O4
- Average molar mass
- 318.41 g/mol
- Monoisotopic mass
- 318.22670545
Names & identifiers
- Preferred name
- 1,6-Hexanediamine, N1,N6-bis(2-methyl-2-nitropropyl)-
- IUPAC
- N,N'-bis(2-methyl-2-nitropropyl)hexane-1,6-diamine
- English name
- N,N'-Bis(2-methyl-2-nitropropyl)hexamethylenediamine
- Molecular formula
- C14H30N4O4
- Molecular weight
- 318.41
Names & synonyms
1,6-Hexanediamine, N1,N6-bis(2-methyl-2-nitropropyl)-RefChem:417646114136-87-71,6-Hexanediamine, N,N'-bis(2-methyl-2-nitropropyl)-N,N'-bis(2-methyl-2-nitropropyl)hexane-1,6-diamineN,N/'-Bis(2-methyl-2-nitropropyl)hexamethylenediamineSCHEMBL1279123DTXSID7073064RWKWYSIDDAGTKA-UHFFFAOYSA-NN~1~,N~6~-Bis(2-methyl-2-nitropropyl)hexane-1,6-diamineN,N'-Bis(2-methyl-2-nitropropyl)-1,6-hexanediamineN,N'-Bis(2-methyl-2-nitropropyl)hexamethylenediamine
Database identifiers
- CAS
114136-87-7- PubChem CID
- 86314
- DTXSID
DTXSID7073064- Nikkaji
- J111.333J
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 314
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,6-Hexanediamine, N,N'-bis(2-methyl-2-nitropropyl)- (114136-87-7)
- TSCA
- TSCA listed
- REACH Registrations
- Inactive
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Safety data
- tsca
- TSCA listed
- REACH Registrations
- Inactive
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,6-Hexanediamine, N1,N6-bis(2-methyl-2-nitropropyl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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