Basic information
- CAS
16011-97-5- Standard SMILES
CNCCCCNC- InChIKey
CZPRYVBLOUZRGD-UHFFFAOYSA-N- Molecular formula
- C6H16N2
- Average molar mass
- 116.2 g/mol
- Monoisotopic mass
- 116.13134852
Names & identifiers
- Preferred name
- N,N'-Dimethylputrescine
- IUPAC
- N,N'-dimethylbutane-1,4-diamine
- English name
- N,N'-Dimethyl-1,4-butanediamine
- Molecular formula
- C6H16N2
- Molecular weight
- 116.2
Names & synonyms
N,N'-Dimethylbutane-1,4-diamine1,4-Butanediamine, N,N'-dimethyl-1,4-Butanediamine, N1,N4-dimethyl-N,N'-DimethylputrescineZCM2CN8AFVDTXSID40659931,4-BUTANEDIAMINE N,N'-DIMETHYL-N1,N4-DIMETHYL-1,4-BUTANEDIAMINE1,4-BUTANEDIAMINE N1,N4-DIMETHYL-RefChem:201891DTXCID103515516011-97-5
Show more names
N,N'-dimethylbutane-1-dimethyl-1,4-butanediamine
N,N'-Dimethyl-1,4-butanediamineN1,N4-Dimethylbutane-1,4-diamineMFCD00039799N,N inverted exclamation mark -Dimethyl-1,4-butanediaminemethyl[4-(methylamino)butyl]amineEINECS 240-148-51,4-dimethylaminobutaneUNII-ZCM2CN8AFV
Database identifiers
- CAS
16011-97-5- PubChem CID
- 85238
- DTXSID
DTXSID4065993- ChEMBL
CHEMBL61621- UNII
- ZCM2CN8AFV
- EC Number
- 240-148-5
- Nikkaji
- J219.935A
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 31.5
Physicochemical properties
- Boiling point
- 168 °C · 168 °C
- Density
- 0.8 · 0.800±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 10.99 · 10.99±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- FDA UNII
- 2 CN8AFV · ZCM2CN8AFV
- EPA Substance Registry System
- 1 · 1,4-Butanediamine, N,N'-dimethyl- (16011-97-5)
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 226 · H226-H302+H312-H314-H330
- Precautionary statements
- 260 · P260-P280-P284-P305+P351+P338-P310
- TSCA
- TSCA listed
- HS Code
- 2921290090 · 2921290090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2921290090
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS06
- Hazard statements
- H226-H302+H312-H314-H330
- Precautionary statements
- P260-P280-P284-P305+P351+P338-P310
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,4-Butanediamine, N1,N4-dimethyl-: INACTIVE
Applications
UsesN,N''-dimethyl-1,4-butanediaminecan be used to design bifunctional antibiotics (neamine dimers) that can inhibit aminoglycoside-modifying enzymes and target rRNA. It can also be utilized as a reagent for enantioselective addition of substituted allylic trichlorosilanes in the presence of abisphosphoramide catalyst.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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