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CAS 696-99-1 (benzylamine)trifluoroboron molecular structure lightbox
CAS RN: 696-99-1

(benzylamine)trifluoroboron

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250408 100g Out of stock Inquiry
Batchno.20251213 1g In stock Inquiry
Batchno.20250915 25g In stock Inquiry
Batchno.20260506 5g In stock Inquiry
  • Product code: SSC-179311
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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: 1g, 0.25g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 696-99-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
5g ≥95% 1 In Stock Hong Kong Inquiry

696-99-1 / phenylmethanamine;trifluoroborane

Standard CAS: 696-99-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
696-99-1
Multi CAS
Yes
Molecular Formula
BC7F3H9N
Molecular Weight
174.960000
Exact Mass
175.078014
InChI
InChI=1S/C7H9N.BF3/c8-6-7-4-2-1-3-5-7;2-1(3)4/h1-5H,6,8H2;
InChIKey
YRZFHTRSHNGOSR-UHFFFAOYSA-N

Physical Properties

Physical Description
Other Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.41
TPSA
26.02

LogP / Solubility

WLOGP
2.03
MLOGP
1.78
XLogP3
2.03
Consensus LogP
1.95
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
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)
-2.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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