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CAS 219736-10-4 (1-Cyclopropylpropyl)amine molecular structure lightbox
CAS RN: 219736-10-4

(1-Cyclopropylpropyl)amine

  • Product code: SSC-105683
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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 219736-10-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

219736-10-4 / 1-cyclopropylpropan-1-amine

Standard CAS: 219736-10-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
219736-10-4
Multi CAS
No
Molecular Formula
C6H13N
Molecular Weight
99.170000
Exact Mass
99.104799
SMILES
CCC(C1CC1)N
InChI
InChI=1S/C6H13N/c1-2-6(7)5-3-4-5/h5-6H,2-4,7H2,1H3
InChIKey
OXXSMQHKMPTBAR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
30.99
TPSA
26.02

LogP / Solubility

WLOGP
1.13
MLOGP
0.99
XLogP3
1
Consensus LogP
1.04
Log S (ESOL)
-1.04
Class (ESOL)
Soluble
Log S (Ali)
-1.19
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.49
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)
-2.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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