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CAS 1135292-94-2 (5-chloro-2-isopropoxyphenyl)methanamine hydrochloride molecular structure lightbox
CAS RN: 1135292-94-2

(5-chloro-2-isopropoxyphenyl)methanamine hydrochloride

  • Product code: SSC-013648
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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 1135292-94-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1135292-94-2 / (5-chloro-2-propan-2-yloxyphenyl)methanamine;hydrochloride

(5-CHLORO-2-ISOPROPOXYPHENYL)METHANAMINE HYDROCHLORIDE | (5-chloro-2-isopropoxybenzyl)amine hydrochloride | MFCD11226477

Standard CAS: 1135292-94-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1135292-94-2
Multi CAS
No
Molecular Formula
C10H15Cl2NO
Molecular Weight
236.130000
Exact Mass
235.053070
SMILES
CC(C)OC1=C(C=C(C=C1)Cl)CN.Cl
InChI
InChI=1S/C10H14ClNO.ClH/c1-7(2)13-10-4-3-9(11)5-8(10)6-12;/h3-5,7H,6,12H2,1-2H3;1H
InChIKey
WXKSSTAVIPPHRF-UHFFFAOYSA-N
Synonyms
(5-CHLORO-2-ISOPROPOXYPHENYL)METHANAMINE HYDROCHLORIDE (5-chloro-2-isopropoxybenzyl)amine hydrochloride MFCD11226477 (5-chloro-2-propan-2-yloxyphenyl)methanamine;hydrochloride (5-CHLORO-2-ISOPROPOXYPHENYL)METHANAMINEHYDROCHLORIDE

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
62.36
TPSA
35.25

LogP / Solubility

WLOGP
3.01
MLOGP
2.65
XLogP3
3.01
Consensus LogP
2.89
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.05
Class (SILICOS-IT)
Slightly 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)
-2.02

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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