Basic information
- CAS
137605-95-9- Standard SMILES
CCCCC(CC)(CN)CCCN- InChIKey
NDXNCTAJOQSKIO-UHFFFAOYSA-N- Molecular formula
- C11H26N2
- Average molar mass
- 186.34 g/mol
- Monoisotopic mass
- 186.20959884
Names & identifiers
- Preferred name
- 2-Butyl-2-ethyl-1,5-pentanediamine
- IUPAC
- 2-butyl-2-ethylpentane-1,5-diamine
- English name
- 2-Butyl-2-ethyl-1 5-pentanediamine
- Molecular formula
- C11H26N2
- Molecular weight
- 186.34
Names & synonyms
2-Butyl-2-ethyl-1,5-pentanediamineRefChem:468103620-839-12-butyl-2-ethylpentane-1,5-diamine137605-95-92-BUTYL-2-ETHYL-1 5-PENTANEDIAMINESCHEMBL27421DTXSID20407234SBB0586212-ethyl-2-butylpentane-1,5-diamine2-butyl- 2-ethylpentane-1,5-diamineAKOS006228167
Show more names
2-butyl-2-ethyl-1,5-diaminopentane1,5-Pentanediamine, 2-butyl-2-ethyl-2-BUTYL-2-ETHYL-1,5-PENTANEDIAMINE 96+%
ST51033902
Database identifiers
- CAS
137605-95-9- PubChem CID
- 4983344
- DTXSID
DTXSID20407234- EC Number
- 620-839-1
- Nikkaji
- J1.134.080F
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 115
Physicochemical properties
- Boiling point
- 269 °C750 · 269 °C750 mm Hg(lit.)
- Density
- 0.876 g/mL · 0.876 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.47(lit.)
- Flash point
- 230 °F · >230 °F
- pka
- 10.68 · 10.68±0.15(Predicted)
- EWG's Food Scores
- 1 · 1-2
- Symbol(GHS)
- 8 · GHS08,GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H312-H314-H317-H373-H412
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P260-P314-P501-P273-P501
- Hazard Codes
- C
- Risk Statements
- 21 · 21/22-34-43-48/22-52/53
- Safety Statements
- 26 · 26-36/37/39-45-61
- RIDADR
- 2735 · UN 2735 8/PG 2
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]；H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P260, P261, P264, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Corr. 1B (100%)；Skin Sens. 1 (100%)；STOT RE 2 (100%)；Aquatic Chronic 3 (100%)
Safety data
- F
- 9-34
- wgk
- 2
- ridadr
- UN 2735 8/PG 2
- risk_code
- 21/22-34-43-48/22-52/53
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS05,GHS07
- hazard_code
- C
Chemistry & industry
Suppliers2 total
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
5 records
Compound notes
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