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CAS 1704-28-5 ALDIMORPH molecular structure lightbox
CAS RN: 1704-28-5

ALDIMORPH

  • Product code: SSC-074949
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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 1704-28-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1704-28-5 / 4-dodecyl-2,6-dimethylmorpholine

Standard CAS: 1704-28-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1704-28-5
Multi CAS
No
Molecular Formula
C18H37NO
Molecular Weight
283.500000
Exact Mass
283.287515
SMILES
CCCCCCCCCCCCN1CC(OC(C1)C)C
InChI
InChI=1S/C18H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-19-15-17(2)20-18(3)16-19/h17-18H,4-16H2,1-3H3
InChIKey
SBUKOHLFHYSZNG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
1
Rotatable bonds
11
H-bond acceptors
2
Molar refractivity
88.29
TPSA
12.47

LogP / Solubility

WLOGP
5.02
MLOGP
4.42
XLogP3
6.3
Consensus LogP
5.25
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.99
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity] H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P203, P264, P273, P280, P302+P352, P317, P318, P321, P332+P317, P362+P364, P391, P405, and P501

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