(R)-Bis(3,5-dimethylphenyl)(2-pyrrolidinyl)methanol - CAS 948595-01-5
Catalog: |
BB041573 |
Product Name: |
(R)-Bis(3,5-dimethylphenyl)(2-pyrrolidinyl)methanol |
CAS: |
948595-01-5 |
Synonyms: |
bis(3,5-dimethylphenyl)-[(2R)-2-pyrrolidinyl]methanol; bis(3,5-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methanol |
IUPAC Name: | bis(3,5-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methanol |
Description: | (R)-Bis(3,5-dimethylphenyl)(2-pyrrolidinyl)methanol (CAS# 948595-01-5 ) is a useful research chemical. |
Molecular Weight: | 309.45 |
Molecular Formula: | C21H27NO |
Canonical SMILES: | CC1=CC(=CC(=C1)C(C2CCCN2)(C3=CC(=CC(=C3)C)C)O)C |
InChI: | InChI=1S/C21H27NO/c1-14-8-15(2)11-18(10-14)21(23,20-6-5-7-22-20)19-12-16(3)9-17(4)13-19/h8-13,20,22-23H,5-7H2,1-4H3/t20-/m1/s1 |
InChI Key: | MXIOBZPVLNQGIU-HXUWFJFHSA-N |
Melting Point: | 98-101 ℃ |
Storage: | Keep cold. |
LogP: | 4.23690 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P273, P301+P312, P330, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2010324338-A1 | Catalyst for asymmetric hydrogenation | 20090603 |
US-8217204-B2 | Catalyst for asymmetric hydrogenation | 20090603 |
Complexity: | 349 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 309.209264485 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 309.209264485 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 32.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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