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CAS 1135-12-2 4-Aminodiphenylmethane molecular structure lightbox
CAS RN: 1135-12-2

4-Aminodiphenylmethane

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260522 5g / 25g / 100g Out of stock 8-10 business days Inquiry
  • Product code: SSC-013606
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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: 25g
  • 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 1135-12-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Shenzhen Inquiry

1135-12-2 / 4-benzylaniline

4-Aminodiphenylmethane | Benzenamine, 4-(phenylmethyl)- | DTXSID50150423

Standard CAS: 1135-12-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1135-12-2
Multi CAS
No
Molecular Formula
C13H13N
Molecular Weight
183.250000
Exact Mass
183.104799
SMILES
C1=CC=C(C=C1)CC2=CC=C(C=C2)N
InChI
InChI=1S/C13H13N/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10,14H2
InChIKey
WDTRNCFZFQIWLM-UHFFFAOYSA-N
Synonyms
4-Aminodiphenylmethane Benzenamine, 4-(phenylmethyl)- DTXSID50150423 RefChem:561868 DTXCID2072914

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
60.1
TPSA
26.02

LogP / Solubility

WLOGP
2.86
MLOGP
2.51
XLogP3
3.2
Consensus LogP
2.86
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
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)
-1.81

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (12.5%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (12.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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