Basic information
- CAS
743355-59-1- Standard SMILES
CCCCc1ccc(CCN)cc1- InChIKey
ZWVAEXGUCYEOBM-UHFFFAOYSA-N- Molecular formula
- C12H19N
- Average molar mass
- 177.29 g/mol
- Monoisotopic mass
- 177.15174961
Names & identifiers
- Preferred name
- 2-(4-Butylphenyl)ethan-1-amine
- IUPAC
- 2-(4-butylphenyl)ethanamine
Names & synonyms
2-(4-butylphenyl)ethan-1-amine743355-59-1RefChem:457169962-795-92-(4-butylphenyl)ethanamineNCIOpen2_005989SCHEMBL3062920TEB35559MFCD08448895AKOS006288688SY352582EN300-6493789
Database identifiers
- CAS
743355-59-1- PubChem CID
- 417592
- EC Number
- 962-795-9
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 114
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, 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 CategoriesSkin Corr. 1B (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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