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CAS 1154940-86-9 2-(3-MethylMorpholin-4-yl)ethan-1-aMine molecular structure lightbox
CAS RN: 1154940-86-9

2-(3-MethylMorpholin-4-yl)ethan-1-aMine

  • Product code: SSC-015255
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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: ≥95%
  • 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 1154940-86-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1154940-86-9 / 2-(3-methylmorpholin-4-yl)ethanamine

2-(3-methylmorpholin-4-yl)ethan-1-amine | RefChem:455777 | 978-148-9

Standard CAS: 1154940-86-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1154940-86-9
Multi CAS
Yes
Molecular Formula
C7H16N2O
Molecular Weight
144.210000
Exact Mass
144.126263
SMILES
CC1COCCN1CCN
InChI
InChI=1S/C7H16N2O/c1-7-6-10-5-4-9(7)3-2-8/h7H,2-6,8H2,1H3
InChIKey
AKRYVGKRXDTOBA-UHFFFAOYSA-N
Synonyms
2-(3-methylmorpholin-4-yl)ethan-1-amine RefChem:455777 978-148-9 2-(3-Methylmorpholino)ethylamine 4-Morpholineethanamine, 3-methyl-

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.91
TPSA
38.49

LogP / Solubility

WLOGP
-0.33
MLOGP
-0.3
XLogP3
-0.6
Consensus LogP
-0.41
Log S (ESOL)
-0.39
Class (ESOL)
Very soluble
Log S (Ali)
-0.5
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.56
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)
-3.84

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)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501

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