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CAS 1170797-92-8 3-(4-CHLOROPHENYL)MORPHOLINE HCL molecular structure lightbox
CAS RN: 1170797-92-8

3-(4-CHLOROPHENYL)MORPHOLINE HCL

  • Product code: SSC-016908
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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: 2
  • 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 1170797-92-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

1170797-92-8 / 3-(4-chlorophenyl)morpholine;hydrochloride

3-(4-Chlorophenyl)morpholine hydrochloride | RefChem:492941 | 691-822-4

Standard CAS: 1170797-92-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1170797-92-8
Multi CAS
No
Molecular Formula
C10H13Cl2NO
Molecular Weight
234.120000
Exact Mass
233.037419
SMILES
C1COCC(N1)C2=CC=C(C=C2)Cl.Cl
InChI
InChI=1S/C10H12ClNO.ClH/c11-9-3-1-8(2-4-9)10-7-13-6-5-12-10;/h1-4,10,12H,5-7H2;1H
InChIKey
VKUBCLCJPLUOTA-UHFFFAOYSA-N
Synonyms
3-(4-Chlorophenyl)morpholine hydrochloride RefChem:492941 691-822-4 3-(4-CHLOROPHENYL)MORPHOLINE HCL MFCD03840089

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.26
TPSA
21.26

LogP / Solubility

WLOGP
2.42
MLOGP
2.14
XLogP3
2.42
Consensus LogP
2.33
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
Class (SILICOS-IT)
Poorly 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)
-2.43

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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