| CAS Number | 88655-03-2 |
| Catalog Number | AG0047VQ(AGN-PC-0NI5EA) |
| Chemical Name | 2-[4-(2-methylpropoxy)phenyl]ethan-1-amine |
| IUPAC Name | 2-[4-(2-methylpropoxy)phenyl]ethanamine |
| InChI | InChI=1S/C12H19NO/c1-10(2)9-14-12-5-3-11(4-6-12)7-8-13/h3-6,10H,7-9,13H2,1-2H3 |
| InChI Key | ZHKGWDGMUKUETJ-UHFFFAOYSA-N |
| MDL Number | MFCD09729206 |
| Molecular Formula | C12H19NO |
| Molecular Weight | 193.2854 |
| SMILES | CC(COC1=CC=C(CCN)C=C1)C |
| Synonyms | 88655-03-2,
2-(4-Isobutoxyphenyl)ethylamine,
2-[4-(2-methylpropoxy)phenyl]ethan-1-amine,
Benzeneethanamine, 4-(2-methylpropoxy)-,
ACMC-20lcin,
AC1Q1PT7,
SCHEMBL11157593,
CTK3A8107,
DTXSID50481244,
5390AJ,
ZINC22166655,
AKOS000138181,
MCULE-6588299879,
NE19619,
SY028509,
EN300-71503,
MFCD09729206 (95%),
Z1266823344,
C12H19NO,
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| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.29g/mol |
| Monoisotopic Mass | 193.147g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number