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CAS 40691-66-5 2,2-DIPHENYLPROPYLAMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 40691-66-5

2,2-DIPHENYLPROPYLAMINE HYDROCHLORIDE

  • Product code: SSC-149011
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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 40691-66-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

40691-66-5 / 3,3-diphenylpropan-1-amine;hydrochloride

Standard CAS: 40691-66-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
40691-66-5
Multi CAS
Yes
Molecular Formula
C15H18CLN
Molecular Weight
247.760000
Exact Mass
247.112777
InChI
InChI=1S/C15H17N.ClH/c1-15(12-16,13-8-4-2-5-9-13)14-10-6-3-7-11-14;/h2-11H,12,16H2,1H3;1H
InChIKey
AASCJSPDUDWGGQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
75.65
TPSA
26.02

LogP / Solubility

WLOGP
3.59
MLOGP
3.16
XLogP3
3.59
Consensus LogP
3.45
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.73
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.68

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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