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CAS 22374-89-6 3-Amino-1-phenylbutane molecular structure lightbox
CAS RN: 22374-89-6

3-Amino-1-phenylbutane

  • Product code: SSC-109084
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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: 10ml, 100ml, 25ml, 500ml
  • Available purity: >97%
  • Inventory rows with stock: 2
  • 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 22374-89-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
10ml >97% 2 In Stock Shenzhen Inquiry
100ml >97% 2 In Stock Beijing Inquiry
25ml >97% 0 Out of Stock Shanghai Inquiry
500ml >97% 0 Out of Stock Hong Kong Inquiry

22374-89-6 / 4-phenylbutan-2-amine

Standard CAS: 22374-89-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22374-89-6
Multi CAS
No
Molecular Formula
C10H15N
Molecular Weight
149.230000
Exact Mass
149.120449
SMILES
CC(CCC1=CC=CC=C1)N
InChI
InChI=1S/C10H15N/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3
InChIKey
WECUIGDEWBNQJJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.41
TPSA
26.02

LogP / Solubility

WLOGP
1.97
MLOGP
1.72
XLogP3
2
Consensus LogP
1.9
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
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)
-2.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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