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CAS 1013-88-3 Benzophenone Imine molecular structure lightbox
CAS RN: 1013-88-3

Benzophenone Imine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260415 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Guangdong, Hebei, Chongqing Inquiry
  • Product code: SSC-002146
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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: 5g, 10g, 25g, 100g, 1000g, 500g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • 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 1013-88-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 5 In Stock Shanghai Inquiry
10g >95% 5 In Stock Hong Kong Inquiry
25g >95% 5 In Stock Shanghai Inquiry
100g >95% 5 In Stock Shanghai Inquiry
1000g >95% 5 In Stock Shanghai Inquiry
500g >95% 3 In Stock Beijing Inquiry

1013-88-3 / diphenylmethanimine

Benzophenone imine | Diphenylmethanimine | Benzophenoneimine

Standard CAS: 1013-88-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1013-88-3
Multi CAS
Yes
Molecular Formula
C13H11N
Molecular Weight
181.230000
Exact Mass
181.089149
SMILES
C1=CC=C(C=C1)C(=N)C2=CC=CC=C2
InChI
InChI=1S/C13H11N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,14H
InChIKey
SXZIXHOMFPUIRK-UHFFFAOYSA-N
Synonyms
Benzophenone imine Diphenylmethanimine Benzophenoneimine 1,1-diphenylmethanimine Benzenemethanimine, alpha-phenyl-

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.81
TPSA
23.85

LogP / Solubility

WLOGP
3.1
MLOGP
2.73
XLogP3
3
Consensus LogP
2.94
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.62

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

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] H412 (97.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H319 (94.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (92.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, and P501 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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