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CAS 91338-97-5 3-METHYL-1-PHENYLBUTAN-1-AMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 91338-97-5

3-METHYL-1-PHENYLBUTAN-1-AMINE HYDROCHLORIDE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260114 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-204304
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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: 1g
  • 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 91338-97-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

91338-97-5 / 3-methyl-1-phenylbutan-1-amine;hydrochloride

Standard CAS: 91338-97-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
91338-97-5
Multi CAS
Yes
Molecular Formula
C11H18CLN
Molecular Weight
199.720000
Exact Mass
199.112777
InChI
InChI=1S/C11H17N.ClH/c1-9(2)8-11(12)10-6-4-3-5-7-10;/h3-7,9,11H,8,12H2,1-2H3;1H
InChIKey
HNQTWZNKDACDLN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
60.07
TPSA
26.02

LogP / Solubility

WLOGP
3.15
MLOGP
2.78
XLogP3
3.15
Consensus LogP
3.03
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
Class (SILICOS-IT)
Poorly 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)
-1.7

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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