Basic information
- CAS
34059-12-6- Standard SMILES
CCNCCCCc1ccccc1- InChIKey
CJKHOQLCNBFFQT-UHFFFAOYSA-N- Molecular formula
- C12H19N
- Average molar mass
- 177.29 g/mol
- Monoisotopic mass
- 177.15174961
Names & identifiers
- Preferred name
- N-Ethylbenzenebutanamine
- IUPAC
- N-ethyl-4-phenylbutan-1-amine
- English name
- N-Ethyl-benzenebutanamine
- Molecular formula
- C12H19N
- Molecular weight
- 177.29
Names & synonyms
34059-12-6N-EthylbenzenebutanamineRefChem:364034N-Ethyl-benzenebutanamineN-ethyl-4-phenylbutylamineN-ethyl-4-phenylbutan-1-amineMFCD11212410N-ethyl-4-phenyl-butan-1-amineSCHEMBL3429617SCHEMBL9819848DTXSID401318844F79519
Show more names
Benzenebutanamine, N-ethyl-
Database identifiers
- CAS
34059-12-6- PubChem CID
- 10487537
- DTXSID
DTXSID401318844- Nikkaji
- J1.040.713C
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 106
Physicochemical properties
- Boiling point
- 270 · 270-272 °C(Press: 762 Torr)
- Density
- 0.899 · 0.899±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 10.71 · 10.71±0.19(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
济南荣科药业有限公司18615606162 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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