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CAS 2006278-39-1 4-Hydroxybenzylamine Hydrate molecular structure lightbox
CAS RN: 2006278-39-1

4-Hydroxybenzylamine Hydrate

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250725 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251004 1g / 5g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-094583
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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: 25g, 5g, 10g, 100g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 2006278-39-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >95% 4 In Stock Shanghai Inquiry
5g >95% 2 In Stock Beijing Inquiry
10g >95% 1 In Stock Hong Kong Inquiry
100g >95% 1 In Stock Beijing Inquiry

2006278-39-1 / 4-(aminomethyl)phenol;hydrate

Standard CAS: 2006278-39-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2006278-39-1
Multi CAS
No
Molecular Formula
C7H11NO2
Molecular Weight
141.170000
Exact Mass
141.078979
SMILES
C1=CC(=CC=C1CN)O.O
InChI
InChI=1S/C7H9NO.H2O/c8-5-6-1-3-7(9)4-2-6;/h1-4,9H,5,8H2;1H2
InChIKey
PHUGFJQJJCDBFX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.61
TPSA
77.75

LogP / Solubility

WLOGP
0.03
MLOGP
0.02
XLogP3
0.03
Consensus LogP
0.03
Log S (ESOL)
-1.11
Class (ESOL)
Soluble
Log S (Ali)
-0.74
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.72
Class (SILICOS-IT)
Very 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)
-3.56

Drug-likeness / Medicinal Chemistry

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

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