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CAS 107622-80-0 4-Phenoxybenzylamine molecular structure lightbox
CAS RN: 107622-80-0

4-Phenoxybenzylamine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251003 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: SSC-009122
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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, 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 107622-80-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Shenzhen Inquiry
25g ＞97% 0 Out of Stock Shenzhen Inquiry

107622-80-0 / (4-phenoxyphenyl)methanamine

(4-phenoxyphenyl)methanamine | 4-phenoxybenzenemethanamine | RefChem:403090

Standard CAS: 107622-80-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
107622-80-0
Multi CAS
Yes
Molecular Formula
C13H13NO
Molecular Weight
199.250000
Exact Mass
199.099714
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)CN
InChI
InChI=1S/C13H13NO/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H,10,14H2
InChIKey
CCAZAGUSBMVSAR-UHFFFAOYSA-N
Synonyms
(4-phenoxyphenyl)methanamine 4-phenoxybenzenemethanamine RefChem:403090 671-210-3 4-Phenoxybenzylamine

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.85
TPSA
35.25

LogP / Solubility

WLOGP
2.94
MLOGP
2.58
XLogP3
2.3
Consensus LogP
2.61
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
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)
-1.85

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Acute Toxic Irritant Environmental Hazard
Signal
Danger
GHS Hazard Statements
H301 (16.7%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501

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