(S)-1-Benzyl-3-pyrrolidinol - CAS 101385-90-4
Catalog: |
BB044166 |
Product Name: |
(S)-1-Benzyl-3-pyrrolidinol |
CAS: |
101385-90-4 |
Synonyms: |
(S)-1-Benzylpyrrolidin-3-ol; (S)-1-Benzyl-3-hydroxypyrrolidine |
IUPAC Name: | (3S)-1-benzylpyrrolidin-3-ol |
Description: | (S)-1-Benzyl-3-pyrrolidinol (CAS# 101385-90-4 ) is a useful research chemical. |
Molecular Weight: | 177.24 |
Molecular Formula: | C11H15NO |
Canonical SMILES: | C1CN(CC1O)CC2=CC=CC=C2 |
InChI: | InChI=1S/C11H15NO/c13-11-6-7-12(9-11)8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2/t11-/m0/s1 |
InChI Key: | YQMXOIAIYXXXEE-NSHDSACASA-N |
Purity: | ≥ 98 % |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.115364102 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.115364102 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 23.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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Pyrrolidines
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