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CAS 621-77-2 Triamylamine molecular structure lightbox
CAS RN: 621-77-2

Triamylamine

  • Product code: SSC-171166
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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 621-77-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shenzhen Inquiry

621-77-2 / N,N-dipentylpentan-1-amine

Standard CAS: 621-77-2 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
621-77-2
Multi CAS
No
Molecular Formula
C15H33N
Molecular Weight
227.430000
Exact Mass
227.261300
InChI
InChI=1S/C15H33N/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3/h4-15H2,1-3H3
InChIKey
OOHAUGDGCWURIT-UHFFFAOYSA-N

Physical Properties

Boiling Point
464 to 473 °F at 760 mmHg (NTP, 1992)
Density
0.7907 at 68 °F (NTP, 1992) - Less dense than water; will float
Physical Description
Tri-n-amylamine is a clear colorless to yellow liquid with an amine odor. Flash point 215 °F. Density 0.80 g / cm3. Colorless to yellow liquid with an amine odor; [CAMEO] Colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
12
H-bond acceptors
1
Molar refractivity
75.02
TPSA
3.24

LogP / Solubility

WLOGP
4.86
MLOGP
4.28
XLogP3
5.6
Consensus LogP
4.91
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.61
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)
-0.66

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

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