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CAS 1375963-52-2 2-(1-methyl-1H-pyrazol-4-yl)morpholine molecular structure lightbox
CAS RN: 1375963-52-2

2-(1-methyl-1H-pyrazol-4-yl)morpholine

  • Product code: SSC-047314
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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, 5g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • 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 1375963-52-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
1g >97% 1 In Stock Shenzhen Inquiry
5g >97% 1 In Stock Shanghai Inquiry
10g >97% 0 Out of Stock Shenzhen Inquiry

1375963-52-2 / 2-(1-methylpyrazol-4-yl)morpholine

Standard CAS: 1375963-52-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1375963-52-2
Multi CAS
No
Molecular Formula
C8H13N3O
Molecular Weight
167.210000
Exact Mass
167.105862
SMILES
CN1C=C(C=N1)C2CNCCO2
InChI
InChI=1S/C8H13N3O/c1-11-6-7(4-10-11)8-5-9-2-3-12-8/h4,6,8-9H,2-3,5H2,1H3
InChIKey
KSBIDPYAPFHSRG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
44.77
TPSA
39.08

LogP / Solubility

WLOGP
0.08
MLOGP
0.07
XLogP3
-0.7
Consensus LogP
-0.18
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-0.99
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.93
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)
-3.68

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)
Irritant
Signal
Warning
GHS Hazard Statements
H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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