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CAS 1394826-99-3 rac-(1R,2R)-2-methoxycyclopentanamine molecular structure lightbox
CAS RN: 1394826-99-3

rac-(1R,2R)-2-methoxycyclopentanamine

  • Product code: SSC-050109
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1394826-99-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 1 In Stock Shenzhen Inquiry

1394826-99-3 / trans-(1R,2R)-2-methoxycyclopentan-1-amine

Standard CAS: 1394826-99-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1394826-99-3
Multi CAS
No
Molecular Formula
C6H13NO
Molecular Weight
115.170000
Exact Mass
115.099714
SMILES
CO[C@@H]1CCC[C@H]1N
InChI
InChI=1S/C6H13NO/c1-8-6-4-2-3-5(6)7/h5-6H,2-4,7H2,1H3/t5-,6-/m1/s1
InChIKey
PRXWOOCEFBBQCR-PHDIDXHHSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
32.62
TPSA
35.25

LogP / Solubility

WLOGP
0.51
MLOGP
0.44
XLogP3
0.1
Consensus LogP
0.35
Log S (ESOL)
-0.81
Class (ESOL)
Very soluble
Log S (Ali)
-0.87
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.95
Class (SILICOS-IT)
Very 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)
-3.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H227 (100%): Combustible liquid [Warning Flammable liquids] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501

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