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CAS 110859-47-7 (4-BENZYL-1,4-OXAZINAN-2-YL)METHYLAMINE molecular structure lightbox
CAS RN: 110859-47-7

(4-BENZYL-1,4-OXAZINAN-2-YL)METHYLAMINE

  • Product code: SSC-011787
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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, 5g, 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 110859-47-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry
5g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

110859-47-7 / (4-benzylmorpholin-2-yl)methanamine

(4-benzylmorpholin-2-yl)methanamine | RefChem:402431 | 823-389-6

Standard CAS: 110859-47-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
110859-47-7
Multi CAS
Yes
Molecular Formula
C12H18N2O
Molecular Weight
206.280000
Exact Mass
206.141913
SMILES
C1COC(CN1CC2=CC=CC=C2)CN
InChI
InChI=1S/C12H18N2O/c13-8-12-10-14(6-7-15-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10,13H2
InChIKey
CKZVBXBEDDAEFE-UHFFFAOYSA-N
Synonyms
(4-benzylmorpholin-2-yl)methanamine RefChem:402431 823-389-6 (4-BENZYL-1,4-OXAZINAN-2-YL)METHYLAMINE (4-BENZYL-2-MORPHOLINYL)METHANAMINE

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.51
TPSA
38.49

LogP / Solubility

WLOGP
0.85
MLOGP
0.75
XLogP3
0.5
Consensus LogP
0.7
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.06
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)
-3.38

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)
Corrosive Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral] H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501

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