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CAS 18618-64-9 8-Pentadecanamine molecular structure lightbox
CAS RN: 18618-64-9

8-Pentadecanamine

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4 package records1 with current stock2 grade groups
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Batchno.20250711 1ml In stock Shanghai Inquiry
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  • Product code: ICTP2543
  • Purity/Analytical Methods: >96.0%(GC)(T)
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18618-64-9 / pentadecan-8-amine

Standard CAS: 18618-64-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
18618-64-9
Multi CAS
No
Molecular Formula
C15H33N
Molecular Weight
227.430000
Exact Mass
227.261300
SMILES
CCCCCCCC(CCCCCCC)N
InChI
InChI=1S/C15H33N/c1-3-5-7-9-11-13-15(16)14-12-10-8-6-4-2/h15H,3-14,16H2,1-2H3
InChIKey
NTPSQPZXFVRULZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
74.73
TPSA
26.02

LogP / Solubility

WLOGP
5.03
MLOGP
4.43
XLogP3
6.2
Consensus LogP
5.22
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.76
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)
-0.53

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
Signal
Warning
GHS Hazard Statements
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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