| CAS Number | 1217825-97-2 |
| Catalog Number | AG009G57 |
| Chemical Name | (S)-2-(4-Methoxyphenyl)pyrrolidine |
| IUPAC Name | (2S)-2-(4-methoxyphenyl)pyrrolidine |
| InChI | InChI=1S/C11H15NO/c1-13-10-6-4-9(5-7-10)11-3-2-8-12-11/h4-7,11-12H,2-3,8H2,1H3/t11-/m0/s1 |
| InChI Key | HCBLZPKEGFYHDN-NSHDSACASA-N |
| MDL Number | MFCD06762553 |
| Molecular Formula | C11H15NO |
| Molecular Weight | 177.2429 |
| SMILES | COC1=CC=C([C@H]2NCCC2)C=C1 |
| Synonyms | 1-((2S)Pyrrolidin-2-yl)-4-methoxybenzene,
1217825-97-2,
(S)-2-(4-METHOXYPHENYL)PYRROLIDINE,
AC1M02DI,
AMOT0565,
SCHEMBL6181098,
ZINC2382423,
MFCD06762553,
(2S)-2-(4-methoxyphenyl)pyrrolidine,
AKOS015933150,
(S)-2alpha-(4-Methoxyphenyl)pyrrolidine,
AJ-34851,
AS-49816,
2-(4-methoxyphenyl)pyrrolidine,
CID1988790,
|
| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.247g/mol |
| Monoisotopic Mass | 177.115g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
|
|
Hazard statements
|
H302-H317
|
|
Packing Group
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\N
|
|
Precautionary statements
|
P280-P305+P351+P338
|
|
UN Code
|
\N
|
Certificate of Analysis
Lot Number