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CAS 13031-60-2 Methyl 4-Aminobutyrate Hydrochloride molecular structure lightbox
CAS RN: 13031-60-2

Methyl 4-Aminobutyrate Hydrochloride

  • Product code: SSC-036932
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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: 5g, 10g, 25g, 100g, 500g
  • Available purity: ≥98%
  • 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 13031-60-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 5 In Stock Hong Kong Inquiry
10g ≥98% 5 In Stock Shanghai Inquiry
25g ≥98% 5 In Stock Shanghai Inquiry
100g ≥98% 4 In Stock Beijing Inquiry
500g ≥98% 0 Out of Stock Hong Kong Inquiry

13031-60-2 / methyl 4-aminobutanoate;hydrochloride

Standard CAS: 13031-60-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13031-60-2
Multi CAS
No
Molecular Formula
C5H12ClNO2
Molecular Weight
153.610000
Exact Mass
153.055656
SMILES
COC(=O)CCCN.Cl
InChI
InChI=1S/C5H11NO2.ClH/c1-8-5(7)3-2-4-6;/h2-4,6H2,1H3;1H
InChIKey
WPGPRLVPWACBHW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
37.55
TPSA
52.32

LogP / Solubility

WLOGP
0.32
MLOGP
0.28
XLogP3
0.32
Consensus LogP
0.31
Log S (ESOL)
-0.8
Class (ESOL)
Very soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.28
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)
-3.43

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)
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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