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CAS 88512-06-5 Methyl 3-amino-2-methylpropanoate HCl molecular structure lightbox
CAS RN: 88512-06-5

Methyl 3-amino-2-methylpropanoate HCl

  • Product code: SSC-199240
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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: 1g
  • 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 88512-06-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

88512-06-5 / methyl 3-amino-2-methylpropanoate;hydrochloride

Standard CAS: 88512-06-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
88512-06-5
Multi CAS
No
Molecular Formula
C5H12CLNO2
Molecular Weight
153.610000
Exact Mass
153.055656
InChI
InChI=1S/C5H11NO2.ClH/c1-4(3-6)5(7)8-2;/h4H,3,6H2,1-2H3;1H
InChIKey
RVPWGKBKRYTOHJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
37.48
TPSA
52.32

LogP / Solubility

WLOGP
0.18
MLOGP
0.15
XLogP3
0.18
Consensus LogP
0.17
Log S (ESOL)
-0.77
Class (ESOL)
Very soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.04
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)
-3.53

Drug-likeness / Medicinal Chemistry

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

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