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: 500g
- Available purity: ≥97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 500g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
2016-42-4 / tetradecan-1-amine
Basic Information
CAS
2016-42-4
Multi CAS
No
Molecular Formula
C14H31N
Molecular Weight
213.400000
Exact Mass
213.245650
SMILES
CCCCCCCCCCCCCCN
InChI
InChI=1S/C14H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-15H2,1H3
InChIKey
PLZVEHJLHYMBBY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
70.13
TPSA
26.02
LogP / Solubility
WLOGP
4.65
MLOGP
4.09
XLogP3
6.4
Consensus LogP
5.05
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.34
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Environmental Hazard
Corrosive
Health Hazard
Signal
Warning
Danger
GHS Hazard Statements
H315 (91.1%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (91.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (93.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
H400 (93.3%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
H302: Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501
P260, P261, P264, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P331, P363, P403+P233, P405, and P501
