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CAS 1379151-12-8 (3,3-DIFLUOROCYCLOHEXYL)METHANAMINE molecular structure lightbox
CAS RN: 1379151-12-8

(3,3-DIFLUOROCYCLOHEXYL)METHANAMINE

  • Product code: SSC-047657
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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 1379151-12-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1379151-12-8 / (3,3-difluorocyclohexyl)methanamine

Standard CAS: 1379151-12-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1379151-12-8
Multi CAS
No
Molecular Formula
C7H13F2N
Molecular Weight
149.180000
Exact Mass
149.101606
SMILES
C1CC(CC(C1)(F)F)CN
InChI
InChI=1S/C7H13F2N/c8-7(9)3-1-2-6(4-7)5-10/h6H,1-5,10H2
InChIKey
KUHHSYYOTFOMJB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
35.96
TPSA
26.02

LogP / Solubility

WLOGP
1.77
MLOGP
1.55
XLogP3
1.4
Consensus LogP
1.57
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
Class (SILICOS-IT)
Moderately 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)
-2.37

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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