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CAS 1120-49-6 Didecylamine molecular structure lightbox
CAS RN: 1120-49-6

Didecylamine

  • Product code: SSC-012533
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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 1120-49-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shanghai Inquiry

1120-49-6 / N-decyldecan-1-amine

Didecylamine | N-decyldecan-1-amine | 1-Decanamine, N-decyl-

Standard CAS: 1120-49-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1120-49-6
Multi CAS
No
Molecular Formula
C20H43N
Molecular Weight
297.600000
Exact Mass
297.339550
SMILES
CCCCCCCCCCNCCCCCCCCCC
InChI
InChI=1S/C20H43N/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h21H,3-20H2,1-2H3
InChIKey
GMTCPFCMAHMEMT-UHFFFAOYSA-N
Synonyms
Didecylamine N-decyldecan-1-amine 1-Decanamine, N-decyl- di-n-Decylamine bis(decyl)amine

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
1
Rotatable bonds
18
H-bond acceptors
1
H-bond donors
1
Molar refractivity
98.09
TPSA
12.03

LogP / Solubility

WLOGP
6.86
MLOGP
6.05
XLogP3
8.8
Consensus LogP
7.24
Log S (ESOL)
-4.82
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.95
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.45
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
0.33

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant Environmental Hazard
Signal
Danger
GHS Hazard Statements
H302 (34.7%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (55.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (44.9%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (20.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (44.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, and P501

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