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CAS 13227-01-5 2-AMINO-2-(4-METHYLPHENYL)ACETIC ACID molecular structure lightbox
CAS RN: 13227-01-5

2-AMINO-2-(4-METHYLPHENYL)ACETIC ACID

Product Availability

Choose a grade to view its available package options.

10 package records9 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250923 1g In stock Inquiry
Batchno.20260219 250mg In stock Inquiry
Batchno.20260105 25g Out of stock Inquiry
Batchno.20251124 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251031 10g In stock Shanghai Inquiry
Batchno.20251009 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250929 250mg In stock Shanghai Inquiry
Batchno.20250503 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
Batchno.20250123 25g In stock Shanghai, Tianjin Inquiry
Batchno.20250514 5g In stock Shanghai Inquiry
  • Product code: SSC-039235
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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: 5g
  • Available purity: ≥95%
  • 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 13227-01-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

13227-01-5 / 2-amino-2-(4-methylphenyl)acetic acid

Standard CAS: 13227-01-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13227-01-5
Multi CAS
No
Molecular Formula
C9H11NO2
Molecular Weight
165.190000
Exact Mass
165.078979
SMILES
CC1=CC=C(C=C1)C(C(=O)O)N
InChI
InChI=1S/C9H11NO2/c1-6-2-4-7(5-3-6)8(10)9(11)12/h2-5,8H,10H2,1H3,(H,11,12)
InChIKey
RZRRCPHBUKHOEY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
45.74
TPSA
63.32

LogP / Solubility

WLOGP
1.08
MLOGP
0.95
XLogP3
-1.3
Consensus LogP
0.24
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.87
Class (SILICOS-IT)
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)
-2.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
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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