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CAS 4720-29-0 3-Benzylamino-1-propanol molecular structure lightbox
CAS RN: 4720-29-0

3-Benzylamino-1-propanol

  • Product code: SSC-154155
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 100g, 500g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 4720-29-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
5g >95% 5 In Stock Beijing Inquiry
10g >95% 5 In Stock Shanghai Inquiry
25g >95% 5 In Stock Hong Kong Inquiry
100g >95% 5 In Stock Beijing Inquiry
500g >95% 3 In Stock Shanghai Inquiry

4720-29-0 / 3-(benzylamino)propan-1-ol

Standard CAS: 4720-29-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4720-29-0
Multi CAS
Yes
Molecular Formula
C10H15NO
Molecular Weight
165.230000
Exact Mass
165.115364
InChI
InChI=1S/C10H15NO/c12-8-4-7-11-9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2
InChIKey
ZQJXSIOFSZYGMH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
49.85
TPSA
32.26

LogP / Solubility

WLOGP
1.16
MLOGP
1.02
XLogP3
1
Consensus LogP
1.06
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.3
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.91

Drug-likeness / Medicinal Chemistry

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

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