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CAS 1370360-21-6 2,4,4-Trimethoxybutan-1-amine molecular structure lightbox
CAS RN: 1370360-21-6

2,4,4-Trimethoxybutan-1-amine

  • Product code: SSC-046543
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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: 5g
  • 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 1370360-21-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1370360-21-6 / 2,4,4-trimethoxybutan-1-amine

Standard CAS: 1370360-21-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1370360-21-6
Multi CAS
No
Molecular Formula
C7H17NO3
Molecular Weight
163.210000
Exact Mass
163.120843
SMILES
COC(CC(OC)OC)CN
InChI
InChI=1S/C7H17NO3/c1-9-6(5-8)4-7(10-2)11-3/h6-7H,4-5,8H2,1-3H3
InChIKey
LRPLRCNAFFDJHA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
42.27
TPSA
53.71

LogP / Solubility

WLOGP
-0.03
MLOGP
-0.03
XLogP3
-0.6
Consensus LogP
-0.22
Log S (ESOL)
-0.44
Class (ESOL)
Very soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.42
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)
-3.74

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
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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