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CAS 100131-60-0 (4-isopropoxyphenyl)methanamine hydrochloride molecular structure lightbox
CAS RN: 100131-60-0

(4-isopropoxyphenyl)methanamine hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251031 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-000503
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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 100131-60-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

100131-60-0 / (4-propan-2-yloxyphenyl)methanamine;hydrochloride

(4-ISOPROPOXYPHENYL)METHANAMINE HYDROCHLORIDE | (4-propan-2-yloxyphenyl)methanamine;hydrochloride | MFCD11226478

Standard CAS: 100131-60-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
100131-60-0
Multi CAS
No
Molecular Formula
C10H16ClNO
Molecular Weight
201.690000
Exact Mass
201.092042
SMILES
CC(C)OC1=CC=C(C=C1)CN.Cl
InChI
InChI=1S/C10H15NO.ClH/c1-8(2)12-10-5-3-9(7-11)4-6-10;/h3-6,8H,7,11H2,1-2H3;1H
InChIKey
SPJGJFSVQLJRFY-UHFFFAOYSA-N
Synonyms
(4-ISOPROPOXYPHENYL)METHANAMINE HYDROCHLORIDE (4-propan-2-yloxyphenyl)methanamine;hydrochloride MFCD11226478 MFCD16605992 [4-(methylethoxy)phenyl]methylamine, chloride

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.35
TPSA
35.25

LogP / Solubility

WLOGP
2.35
MLOGP
2.07
XLogP3
2.35
Consensus LogP
2.26
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.29
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)
-2.28

Drug-likeness / Medicinal Chemistry

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

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