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CAS 1119499-74-9 1-(2,2-Difluoro-ethyl)-piperidin-4-ylamine molecular structure lightbox
CAS RN: 1119499-74-9

1-(2,2-Difluoro-ethyl)-piperidin-4-ylamine

  • Product code: SSC-012425
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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 1119499-74-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1119499-74-9 / 1-(2,2-difluoroethyl)piperidin-4-amine

1-(2,2-difluoroethyl)piperidin-4-amine | DTXSID601296636 | 1-(2,2-Difluoroethyl)-4-piperidinamine

Standard CAS: 1119499-74-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1119499-74-9
Multi CAS
No
Molecular Formula
C7H14F2N2
Molecular Weight
164.200000
Exact Mass
164.112505
SMILES
C1CN(CCC1N)CC(F)F
InChI
InChI=1S/C7H14F2N2/c8-7(9)5-11-3-1-6(10)2-4-11/h6-7H,1-5,10H2
InChIKey
GNQSOMJHGLZMJE-UHFFFAOYSA-N
Synonyms
1-(2,2-difluoroethyl)piperidin-4-amine DTXSID601296636 1-(2,2-Difluoroethyl)-4-piperidinamine RefChem:420236 DTXCID101715542

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.65
TPSA
29.26

LogP / Solubility

WLOGP
0.67
MLOGP
0.59
XLogP3
0.7
Consensus LogP
0.65
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.53
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)
-3.24

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501

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