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CAS 1150114-73-0 4-(N,N-Dimethylamino)phenylboronic acid hydrochloride salt molecular structure lightbox
CAS RN: 1150114-73-0

4-(N,N-Dimethylamino)phenylboronic acid hydrochloride salt

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251107 1g In stock Guangdong Inquiry
Batchno.20251109 25g In stock Shanghai Inquiry
Batchno.20260425 5g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-014718
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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: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1150114-73-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Shanghai Inquiry

1150114-73-0 / [4-(dimethylamino)phenyl]boronic acid;hydrochloride

(4-(Dimethylamino)phenyl)boronic acid hydrochloride | 4-(N,N-Dimethylamino)Phenylboronic Acid Hydrochloride | 4-(Dimethylamino)phenylboronic acid hydrochloride

Standard CAS: 1150114-73-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1150114-73-0
Multi CAS
Yes
Molecular Formula
C8H13BClNO2
Molecular Weight
201.460000
Exact Mass
201.072787
SMILES
B(C1=CC=C(C=C1)N(C)C)(O)O.Cl
InChI
InChI=1S/C8H12BNO2.ClH/c1-10(2)8-5-3-7(4-6-8)9(11)12;/h3-6,11-12H,1-2H3;1H
InChIKey
JZMHULQJOBVQRI-UHFFFAOYSA-N
Synonyms
(4-(Dimethylamino)phenyl)boronic acid hydrochloride 4-(N,N-Dimethylamino)Phenylboronic Acid Hydrochloride 4-(Dimethylamino)phenylboronic acid hydrochloride MFCD04112547 4-Dimethylaminophenylboronic acid hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
57.84
TPSA
43.7

LogP / Solubility

WLOGP
-0.15
MLOGP
-0.13
XLogP3
-0.15
Consensus LogP
-0.14
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-1.11
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.09
Class (SILICOS-IT)
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)
-4.05

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

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