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CAS 1592913-04-6 3-(DIFLUOROMETHOXY)PROPAN-1-AMINE molecular structure lightbox
CAS RN: 1592913-04-6

3-(DIFLUOROMETHOXY)PROPAN-1-AMINE

  • Product code: SSC-067289
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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 1592913-04-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1592913-04-6 / 3-(difluoromethoxy)propan-1-amine

Standard CAS: 1592913-04-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1592913-04-6
Multi CAS
No
Molecular Formula
C4H9F2NO
Molecular Weight
125.120000
Exact Mass
125.065220
SMILES
C(CN)COC(F)F
InChI
InChI=1S/C4H9F2NO/c5-4(6)8-3-1-2-7/h4H,1-3,7H2
InChIKey
NGOXWLLNLLNQFF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
25.63
TPSA
35.25

LogP / Solubility

WLOGP
0.57
MLOGP
0.5
XLogP3
0.4
Consensus LogP
0.49
Log S (ESOL)
-0.71
Class (ESOL)
Very soluble
Log S (Ali)
-1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.43
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)
-3.08

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)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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