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CAS 1274892-05-5 10-Benzylamino-1-decanol molecular structure lightbox
CAS RN: 1274892-05-5

10-Benzylamino-1-decanol

  • Product code: SSC-035025
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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: 5g
  • 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 1274892-05-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1274892-05-5 / 10-(benzylamino)decan-1-ol

Standard CAS: 1274892-05-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1274892-05-5
Multi CAS
No
Molecular Formula
C17H29NO
Molecular Weight
263.400000
Exact Mass
263.224915
SMILES
C1=CC=C(C=C1)CNCCCCCCCCCCO
InChI
InChI=1S/C17H29NO/c19-15-11-6-4-2-1-3-5-10-14-18-16-17-12-8-7-9-13-17/h7-9,12-13,18-19H,1-6,10-11,14-16H2
InChIKey
PZKWYQBXXXKOOF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
12
H-bond acceptors
2
H-bond donors
2
Molar refractivity
82.17
TPSA
32.26

LogP / Solubility

WLOGP
3.89
MLOGP
3.43
XLogP3
4.2
Consensus LogP
3.84
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.04
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)
-1.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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