CAS RN: 1011460-69-7
5-(Aminomethyl)-2-methylphenylboronic Acid Pinacol Ester
- Product code: SSC-001994
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: ≥95%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1011460-69-7 / [4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine
(4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanamine | 5-(Aminomethyl)-2-methylphenylboronic Acid Pinacol Ester | MFCD18730174
Basic Information
CAS
1011460-69-7
Multi CAS
Yes
Molecular Formula
C14H22BNO2
Molecular Weight
247.140000
Exact Mass
247.174359
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)CN)C
InChI
InChI=1S/C14H22BNO2/c1-10-6-7-11(9-16)8-12(10)15-17-13(2,3)14(4,5)18-15/h6-8H,9,16H2,1-5H3
InChIKey
DYSAVNQPEUGNIH-UHFFFAOYSA-N
Synonyms
(4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanamine
5-(Aminomethyl)-2-methylphenylboronic Acid Pinacol Ester
MFCD18730174
[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine
1-[4-METHYL-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]METHANAMINE
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
74.79
TPSA
44.48
LogP / Solubility
WLOGP
1.75
MLOGP
1.55
XLogP3
1.75
Consensus LogP
1.68
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
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)
-2.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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 Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
ethyl 2-tert-butyl-4-chloropyrimidine-5-carboxylate
- CAS RN: 1011464-42-8
- Product Code: SSC-001995
-
(R)-5,5′,6,6′,7,7′,8,8′-Octahydro-3,3′-bis(4-methoxyphenyl)-[1,1′-binaphthalene]-2,2′-diol
- CAS RN: 1011465-19-2
- Product Code: SSC-001996
-
R-3,3′-di-9-anthracenyl-5,5′,6,6′,7,7′,8,8′-octahydro-[1,1′-Binaphthalene]-2,2′-diol
- CAS RN: 1011465-21-6
- Product Code: starshine_CAS1011465-21-6
- Purity/Analytical method: >99.0%
-
R-3,3′-di-9-phenanthrenyl-5,5′,6,6′,7,7′,8,8′-octahydro-1,1′-Binaphthalene]-2,2′-diol
- CAS RN: 1011465-22-7
- Product Code: starshine_CAS1011465-22-7
- Purity/Analytical method: >99.0%
-
(R)-3,3′-Bis(2,4,6-trimethylphenyl)-5,5′,6,6′,7,7′,8,8′-octahydro-1,1′-bi-2-naphthyl Hydrogen Phosphate
- CAS RN: 1011465-23-8
- Product Code: starshine_CAS1011465-23-8
- Purity/Analytical method: >99.0%
-
R-3,3′-bis((3,5-bis(trifluoroMethyl)phenyl)-5,5′,6,6′,7,7′,8,8′-octahydro-1,1′-binaphthyl-2,2′-diyl hydrogenphosphate
- CAS RN: 1011465-24-9
- Product Code: SSC-001997
![CAS 1011465-19-2 (R)-5,5′,6,6′,7,7′,8,8′-Octahydro-3,3′-bis(4-methoxyphenyl)-[1,1′-binaphthalene]-2,2′-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1011465-19-2.gif)
![CAS 1011465-21-6 R-3,3′-di-9-anthracenyl-5,5′,6,6′,7,7′,8,8′-octahydro-[1,1′-Binaphthalene]-2,2′-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1011465-21-6.gif)
![CAS 1011465-22-7 R-3,3′-di-9-phenanthrenyl-5,5′,6,6′,7,7′,8,8′-octahydro-1,1′-Binaphthalene]-2,2′-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1011465-22-7.gif)
