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CAS 1119-48-8 4-(Methylamino)butyric acid molecular structure lightbox
CAS RN: 1119-48-8

4-(Methylamino)butyric acid

  • Product code: SSC-012374
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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: ＞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 1119-48-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1119-48-8 / 4-(methylamino)butanoic acid

4-(Methylamino)butanoic acid | 4-(Methylamino)butyric acid | CHEBI:37755

Standard CAS: 1119-48-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1119-48-8
Multi CAS
Yes
Molecular Formula
C5H11NO2
Molecular Weight
117.150000
Exact Mass
117.078979
SMILES
CNCCCC(=O)O
InChI
InChI=1S/C5H11NO2/c1-6-4-2-3-5(7)8/h6H,2-4H2,1H3,(H,7,8)
InChIKey
AOKCDAVWJLOAHG-UHFFFAOYSA-N
Synonyms
4-(Methylamino)butanoic acid 4-(Methylamino)butyric acid CHEBI:37755 RefChem:516331 N-METHYL-4-AMINOBUTYRIC ACID

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.8
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
30.8
TPSA
49.33

LogP / Solubility

WLOGP
0.07
MLOGP
0.05
XLogP3
-2.6
Consensus LogP
-0.83
Log S (ESOL)
-0.35
Class (ESOL)
Very soluble
Log S (Ali)
-0.57
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.96
Class (SILICOS-IT)
Very 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)
-3.38

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501

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