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CAS 14788-12-6 3-(Dimethylamino)propionic Acid Hydrochloride molecular structure lightbox
CAS RN: 14788-12-6

3-(Dimethylamino)propionic Acid Hydrochloride

  • Product code: SSC-058365
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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: 25g
  • Available purity: ≥97%
  • 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 14788-12-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Hong Kong Inquiry

14788-12-6 / 3-(dimethylamino)propanoic acid;hydrochloride

Standard CAS: 14788-12-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
14788-12-6
Multi CAS
No
Molecular Formula
C5H12ClNO2
Molecular Weight
153.610000
Exact Mass
153.055656
SMILES
CN(C)CCC(=O)O.Cl
InChI
InChI=1S/C5H11NO2.ClH/c1-6(2)4-3-5(7)8;/h3-4H2,1-2H3,(H,7,8);1H
InChIKey
JTNKXYWGZCNBCH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.05
TPSA
40.54

LogP / Solubility

WLOGP
0.44
MLOGP
0.39
XLogP3
0.44
Consensus LogP
0.42
Log S (ESOL)
-0.87
Class (ESOL)
Very soluble
Log S (Ali)
-1.14
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.39
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)
-3.34

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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317

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