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CAS 1106986-47-3 (4-morpholin-4-ylbenzyl)amine hydrochloride molecular structure lightbox
CAS RN: 1106986-47-3

(4-morpholin-4-ylbenzyl)amine hydrochloride

  • Product code: SSC-011667
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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: ＞97%
  • 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 1106986-47-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1106986-47-3 / (4-morpholin-4-ylphenyl)methanamine;hydrochloride

(4-morpholin-4-ylbenzyl)amine hydrochloride | (4-Morpholinophenyl)methanamine hydrochloride | 4-morpholinobenzylamine hydrochloride

Standard CAS: 1106986-47-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1106986-47-3
Multi CAS
No
Molecular Formula
C11H17ClN2O
Molecular Weight
228.720000
Exact Mass
228.102941
SMILES
C1COCCN1C2=CC=C(C=C2)CN.Cl
InChI
InChI=1S/C11H16N2O.ClH/c12-9-10-1-3-11(4-2-10)13-5-7-14-8-6-13;/h1-4H,5-9,12H2;1H
InChIKey
OBPSVZJTAZJLLT-UHFFFAOYSA-N
Synonyms
(4-morpholin-4-ylbenzyl)amine hydrochloride (4-Morpholinophenyl)methanamine hydrochloride 4-morpholinobenzylamine hydrochloride MFCD25955516 (4-morpholin-4-ylphenyl)methanamine;hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.61
TPSA
38.49

LogP / Solubility

WLOGP
1.4
MLOGP
1.24
XLogP3
1.4
Consensus LogP
1.35
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
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)
-3.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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