| CAS Number | 26972-56-5 |
| Catalog Number | AG00BJ1L(AGN-PC-0KNVK9) |
| Chemical Name | N-(2,2-Dimethoxyethyl)aniline |
| EC Number | 248-149-2 |
| IUPAC Name | N-(2,2-dimethoxyethyl)aniline |
| InChI | InChI=1S/C10H15NO2/c1-12-10(13-2)8-11-9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3 |
| InChI Key | HGWZXKUBDUDGSN-UHFFFAOYSA-N |
| MDL Number | MFCD18865350 |
| Molecular Formula | C10H15NO2 |
| Molecular Weight | 181.2316 |
| SMILES | COC(OC)CNC1=CC=CC=C1 |
| Synonyms | N-(2,2-Dimethoxyethyl)aniline,
26972-56-5,
N-(2,2-Dimethoxyethyl)benzenamine,
EINECS 248-149-2,
Benzenamine, N-(2,2-dimethoxyethyl)-,
dimethoxyphenyl-ethylamine,
AC1MI11G,
SCHEMBL931749,
CTK1A7680,
DTXSID50181474,
MFCD18865350,
ZINC33506074,
AKOS012997263,
NE52165,
C10-H15-N-O2,
CID3015344,
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| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.235g/mol |
| Monoisotopic Mass | 181.11g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number