α-Ethylbenzylamine - CAS 2941-20-0
Catalog: |
BB020181 |
Product Name: |
α-Ethylbenzylamine |
CAS: |
2941-20-0 |
Synonyms: |
Benzylamine, α-ethyl-; α-Ethylbenzenemethanamine; (±)-1-Ethylbenzylamine; (±)-1-Phenylpropylamine; (±)-α-Ethylbenzylamine; (±)-α-Phenylpropylamine; 1-Amino-1-phenylpropane; 1-Phenyl-1-propanamine; 1-Phenylpropylamine; 1-Propanamine, 1-phenyl-; α-Phenylpropylamine |
Related CAS: | 35600-74-9 (Deleted CAS)
|
IUPAC Name: | 1-phenylpropan-1-amine |
Molecular Weight: | 135.21 |
Molecular Formula: | C9H13N |
Canonical SMILES: | CCC(C1=CC=CC=C1)N |
InChI: | InChI=1S/C9H13N/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9H,2,10H2,1H3 |
InChI Key: | AQFLVLHRZFLDDV-UHFFFAOYSA-N |
Boiling Point: | 88°C at 14 Torr |
Melting Point: | 192-193°C |
Density: | 0.944±0.06 g/cm3 |
MDL: | MFCD00038169 |
LogP: | 2.79670 |
Publication Number | Title | Priority Date |
CN-113149881-A | Chiral derivatization reagent and preparation method and application thereof | 20210304 |
CN-113215123-A | S-type omega-transaminase high-activity mutant | 20200121 |
WO-2021150645-A1 | Novel cell metabolism modulating compounds and uses thereof | 20200120 |
CN-111187185-A | Method for synthesizing allyl azide derivative | 20200118 |
WO-2021121135-A1 | Photoinitiator, preparation method therefor and application thereof, and photocurable composition | 20191219 |
PMID | Publication Date | Title | Journal |
22064755 | 20110901 | Diphenyl [(S)-1-phenylpropanamido]-phosphate | Acta crystallographica. Section E, Structure reports online |
18854897 | 20081107 | Cluster-based copper(II) coordination polymers with azido bridges and chiral magnets | Dalton transactions (Cambridge, England : 2003) |
15931652 | 20050601 | Simultaneous quantification of six ephedrines in a Mahwang preparation and in urine by high-performance liquid chromatography | Biomedical chromatography : BMC |
Complexity: | 84.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 135.104799419 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 135.104799419 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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