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CAS 153437-52-6 2-AMINO-5-MORPHOLIN-4-YLBENZOIC ACID molecular structure lightbox
CAS RN: 153437-52-6

2-AMINO-5-MORPHOLIN-4-YLBENZOIC ACID

  • Product code: SSC-062898
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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: 1g, 10g, 5g, 0.25g, 25g, 0.1g
  • Available purity: >95%
  • Inventory rows with stock: 10
  • 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 153437-52-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 5 In Stock Shenzhen Inquiry
1g >95% 5 In Stock Beijing Inquiry
10g -- 4 In Stock Shanghai Inquiry
10g >95% 4 In Stock Beijing Inquiry
5g -- 2 In Stock Shenzhen Inquiry
5g >95% 2 In Stock Hong Kong Inquiry
0.25g -- 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
25g -- 1 In Stock Shenzhen Inquiry
25g >95% 1 In Stock Shenzhen Inquiry
0.1g -- 0 Out of Stock Shanghai Inquiry
0.1g >95% 0 Out of Stock Hong Kong Inquiry

153437-52-6 / 2-amino-5-morpholin-4-ylbenzoic acid

Standard CAS: 153437-52-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
153437-52-6
Multi CAS
No
Molecular Formula
C11H14N2O3
Molecular Weight
222.240000
Exact Mass
222.100442
SMILES
C1COCCN1C2=CC(=C(C=C2)N)C(=O)O
InChI
InChI=1S/C11H14N2O3/c12-10-2-1-8(7-9(10)11(14)15)13-3-5-16-6-4-13/h1-2,7H,3-6,12H2,(H,14,15)
InChIKey
HFHMPAKMODSNJN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
60.85
TPSA
75.79

LogP / Solubility

WLOGP
0.8
MLOGP
0.71
XLogP3
0.7
Consensus LogP
0.74
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.01
Class (SILICOS-IT)
Moderately 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)
-3.51

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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