| CAS Number | 1225380-12-0 |
| Catalog Number | AG0017FA(AGN-PC-0WBSNX) |
| Chemical Name | Benzenamine, 4-(3-methyl-3-oxetanyl)- |
| IUPAC Name | 4-(3-methyloxetan-3-yl)aniline |
| InChI | InChI=1S/C10H13NO/c1-10(6-12-7-10)8-2-4-9(11)5-3-8/h2-5H,6-7,11H2,1H3 |
| InChI Key | VLCQTNSZCIBOTL-UHFFFAOYSA-N |
| MDL Number | MFCD20486517 |
| Molecular Formula | C10H13NO |
| Molecular Weight | 163.2163 |
| SMILES | NC1=CC=C(C2(C)COC2)C=C1 |
| Synonyms | 4-(3-methyloxetan-3-yl)aniline,
1225380-12-0,
4-(3-methyl-3-oxetanyl)Benzenamine,
SCHEMBL2010666,
VLCQTNSZCIBOTL-UHFFFAOYSA-N,
KS-000004PY,
BBL103967,
MFCD20486517,
STL557777,
ZINC96308752,
AKOS017343144,
FCH1606038,
SB12806,
Benzenamine, 4-(3-methyl-3-oxetanyl)-,
AK173675,
AS-51486,
DB-057975,
CS-0051202,
FT-0710931,
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| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.22g/mol |
| Monoisotopic Mass | 163.1g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number