| CAS Number | 917828-25-2 |
| Catalog Number | AG01EB43(AGN-PC-0I0K2H) |
| Chemical Name | 2-methyl-4-[(pyrrolidin-1-yl)methyl]phenol |
| IUPAC Name | 2-methyl-4-(pyrrolidin-1-ylmethyl)phenol |
| InChI | InChI=1S/C12H17NO/c1-10-8-11(4-5-12(10)14)9-13-6-2-3-7-13/h4-5,8,14H,2-3,6-7,9H2,1H3 |
| InChI Key | CCKMVVKXIWOUQD-UHFFFAOYSA-N |
| MDL Number | MFCD23163270 |
| Molecular Formula | C12H17NO |
| Molecular Weight | 191.2695 |
| SMILES | CC1=C(C=CC(=C1)CN1CCCC1)O |
| Synonyms | 917828-25-2,
Phenol, 2-methyl-4-(1-pyrrolidinylmethyl)-,
SCHEMBL3381044,
CCKMVVKXIWOUQD-UHFFFAOYSA-N,
2-Methyl-4-(1-pyrrolidinylmethyl)phenol,
2-methyl-4-(pyrrolidin-1-ylmethyl)phenol,
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| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.274g/mol |
| Monoisotopic Mass | 191.131g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 23.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number