Basic information
- CAS
4853-56-9- Standard SMILES
CCCC=NCCCC- InChIKey
GMYLJUMIAPOWOO-UHFFFAOYSA-N- Molecular formula
- C8H17N
- Average molar mass
- 127.23 g/mol
- Monoisotopic mass
- 127.13609954
Names & identifiers
- Preferred name
- N-Butylidenebutylamine
- IUPAC
- N-butylbutan-1-imine
- English name
- N-butylidenebutylamine
- Molecular formula
- C8H17N
- Molecular weight
- 127.23
Names & synonyms
N-ButylidenebutylamineN-Butylidene-1-butanamine1-Butanamine, N-butylidene-Butylamine, N-butylidene-N-Butyl-1-butanimineZFZ8268TMGNSC 4788NSC-4788EINECS 225-447-0UNII-ZFZ8268TMGDTXSID3063625N-BUTYLIDENE-1-BUTYLAMINE
Show more names
N-ButylbutylideneamineN-Butylidenebutan-1-amineGabapentine Impurity 20Q: What is Gabapentine Impurity 20 Q: What is the CAS Number of Gabapentine Impurity 20
RefChem:163060DTXCID0040628Butylamine, N-butylidene-(8CI)225-447-0GMYLJUMIAPOWOO-VQHVLOKHSA-Nbutyl(butylidene)amine4853-56-9N-butylbutan-1-imine
Database identifiers
- CAS
4853-56-9- PubChem CID
- 94840
- DTXSID
DTXSID3063625- UNII
- ZFZ8268TMG
- EC Number
- 225-447-0
- Nikkaji
- J26.147E
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 12.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 67
Physicochemical properties
- Boiling point
- 140 · 140-150 °C
- Density
- 0.764 g/cm3 · 0.764 g/cm3
- pka
- 7.38 · 7.38±0.50(Predicted)
- FDA UNII
- 8268 TMG · ZFZ8268TMG
- EPA Substance Registry System
- 1 · 1-Butanamine, N-butylidene- (4853-56-9)
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H226-H335
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
- TSCA
- TSCA listed
Safety & regulation
GHS classification
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403+P233, 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
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS05
- Hazard statements
- H314-H226-H335
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Butanamine, N-butylidene-: INACTIVE
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CLEARSYNTH LABS LTD.+91-22-45045900 · [email protected]
Related reactions
10 records
Compound notes
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