Basic information
- CAS
889949-99-9- Standard SMILES
CCNCc1ccc(C(C)C)cc1- InChIKey
IMAULWNZPIFDCG-UHFFFAOYSA-N- Molecular formula
- C12H19N
- Average molar mass
- 177.29 g/mol
- Monoisotopic mass
- 177.15174961
Names & identifiers
- Preferred name
- N-(4-Isopropylbenzyl)ethanamine
- IUPAC
- N-[(4-propan-2-ylphenyl)methyl]ethanamine
- English name
- N-(4-ISOPROPYLBENZYL)ETHANAMINE
- Molecular formula
- C12H19N
- Molecular weight
- 177.29
Names & synonyms
N-(4-ISOPROPYLBENZYL)ETHANAMINE889949-99-9N-[(4-propan-2-ylphenyl)methyl]ethanamineSCHEMBL8278011DTXSID40406022N-ethyl-N-(4-isopropylbenzyl)amineAKOS000195740N-[(4-isopropylphenyl)methyl]ethanamineN-{[4-(Propan-2-yl)phenyl]methyl}ethanamineAN-465/43369796CHEMBRDG-BB 9070625UKRORGSYN-BB BBV-088346
Show more names
Benzenemethanamine, N-ethyl-4-(1-methylethyl)-N-(4-isopropylbenzyl)ethanamine(SALTDATA: HCl)
Database identifiers
- CAS
889949-99-9- PubChem CID
- 4723367
- DTXSID
DTXSID40406022
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 123
Physicochemical properties
- Boiling point
- 245.6 · 245.6±9.0 °C(Predicted)
- Density
- 0.897 · 0.897±0.06 g/cm3(Predicted)
- pka
- 9.8 · 9.80±0.10(Predicted)
Chemistry & industry
Suppliers2 total
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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