CAS RN: 101930-07-8
(R)-1-Benzyl-3-pyrrolidinol
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock2 grade groups
- Product code: SSC-003041
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 10g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 10g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
101930-07-8 / (3R)-1-benzylpyrrolidin-3-ol
N-Benzyl-3-pyrrolidinol | RefChem:427099 | 1-Benzyl-3-pyrrolidinol
Basic Information
CAS
101930-07-8
Multi CAS
Yes
Molecular Formula
C11H15NO
Molecular Weight
177.240000
Exact Mass
177.115364
SMILES
C1CN(C[C@@H]1O)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-/m1/s1
InChIKey
YQMXOIAIYXXXEE-LLVKDONJSA-N
Synonyms
N-Benzyl-3-pyrrolidinol
RefChem:427099
1-Benzyl-3-pyrrolidinol
1-benzylpyrrolidin-3-ol
1-Benzyl-3-hydroxypyrrolidine
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.34
TPSA
23.47
LogP / Solubility
WLOGP
1.25
MLOGP
1.1
XLogP3
1.3
Consensus LogP
1.22
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.09
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
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
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![CAS 132747-20-7 (1S,4S)-2,5-Diazabicyclo[2.2.1]heptane Dihydrobromide molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d2658-jpgcontextbwfzdgvyfhjvb3r8mza2mzz8aw1hz2uvanblz3xozwuvadi0lzg5mzawnzewmtk1ntavrdi2ntguanbnfdlmywzkztcwmwixmjjkmmzmyjgynjc4ywvlogzjntk1ywfkytzmnjfhztljogjkmdbmotgyyzexytm0ytcwmjq.jpeg)
