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CAS 118979-65-0 1-(3-AMINO-PROPYL)-HOMOPIPERIDINE DIHYDROCHLORIDE molecular structure lightbox
CAS RN: 118979-65-0

1-(3-AMINO-PROPYL)-HOMOPIPERIDINE DIHYDROCHLORIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250313 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-019205
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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: ＞97%
  • 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 118979-65-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

118979-65-0 / 3-(azepan-1-yl)propan-1-amine;dihydrochloride

3-(azepan-1-yl)propan-1-amine dihydrochloride | 1-(3-Amino-propyl)-homopiperidine Dihydrochloride | 3-AZEPANYLPROPYLAMINE 2HCL

Standard CAS: 118979-65-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
118979-65-0
Multi CAS
No
Molecular Formula
C9H22Cl2N2
Molecular Weight
229.190000
Exact Mass
228.116004
SMILES
C1CCCN(CC1)CCCN.Cl.Cl
InChI
InChI=1S/C9H20N2.2ClH/c10-6-5-9-11-7-3-1-2-4-8-11;;/h1-10H2;2*1H
InChIKey
MNSZZQJHMPGHDK-UHFFFAOYSA-N
Synonyms
3-(azepan-1-yl)propan-1-amine dihydrochloride 1-(3-Amino-propyl)-homopiperidine Dihydrochloride 3-AZEPANYLPROPYLAMINE 2HCL MFCD07371477 (3-azepan-1-ylpropyl)amine dihydrochloride

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.08
TPSA
29.26

LogP / Solubility

WLOGP
2.05
MLOGP
1.81
XLogP3
2.05
Consensus LogP
1.97
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.22
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)
-2.66

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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