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CAS 102440-39-1 3-[(3-MORPHOLINOPROPYL)AMINO]PROPANENITRILE molecular structure lightbox
CAS RN: 102440-39-1

3-[(3-MORPHOLINOPROPYL)AMINO]PROPANENITRILE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250116 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-003714
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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: 0.25g
  • 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 102440-39-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

102440-39-1 / 3-(3-morpholin-4-ylpropylamino)propanenitrile

3-(3-morpholinopropylamino)propanenitrile | 3-[(3-MORPHOLINOPROPYL)AMINO]PROPANENITRILE | 3-(3-morpholin-4-ylpropylamino)propanenitrile

Standard CAS: 102440-39-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
102440-39-1
Multi CAS
No
Molecular Formula
C10H19N3O
Molecular Weight
197.280000
Exact Mass
197.152812
SMILES
C1COCCN1CCCNCCC#N
InChI
InChI=1S/C10H19N3O/c11-3-1-4-12-5-2-6-13-7-9-14-10-8-13/h12H,1-2,4-10H2
InChIKey
DLHVNVSLZVDSRJ-UHFFFAOYSA-N
Synonyms
3-(3-morpholinopropylamino)propanenitrile 3-[(3-MORPHOLINOPROPYL)AMINO]PROPANENITRILE 3-(3-morpholin-4-ylpropylamino)propanenitrile 3-{[3-(morpholin-4-yl)propyl]amino}propanenitrile MFCD01566865

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
54.98
TPSA
48.29

LogP / Solubility

WLOGP
0.21
MLOGP
0.19
XLogP3
-0.5
Consensus LogP
-0.03
Log S (ESOL)
-0.8
Class (ESOL)
Very soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
Class (SILICOS-IT)
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)
-3.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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