CAS RN: 1187931-62-9
“N-methyletrahydro-2H-pyran-3-amine hydrochloride”
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260211 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1187931-62-9
- Purity/Analytical Methods: >99.0%
1187931-62-9 / N-methyloxan-3-amine;hydrochloride
DTXSID30696374 | N-Methyloxan-3-amine--hydrogen chloride (1/1) | RefChem:364641
Basic Information
CAS
1187931-62-9
Multi CAS
No
Molecular Formula
C6H14ClNO
Molecular Weight
151.630000
Exact Mass
151.076392
SMILES
CNC1CCCOC1.Cl
InChI
InChI=1S/C6H13NO.ClH/c1-7-6-3-2-4-8-5-6;/h6-7H,2-5H2,1H3;1H
InChIKey
KZQFVDMXUDUSQR-UHFFFAOYSA-N
Synonyms
DTXSID30696374
N-Methyloxan-3-amine--hydrogen chloride (1/1)
RefChem:364641
DTXCID70647123
N-Methyltetrahydro-2H-pyran-3-amine hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.15
TPSA
21.26
LogP / Solubility
WLOGP
0.81
MLOGP
0.7
XLogP3
0.81
Consensus LogP
0.77
Log S (ESOL)
-1.22
Class (ESOL)
Soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.44
Class (SILICOS-IT)
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)
-3.07
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
Signal
Danger
GHS Hazard Statements
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P354+P338, and P317
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