CAS RN: 1021919-08-3
trans-4-(AMinoMethyl)cyclohexanol hydrochloride
- Product code: SSC-003463
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, 5g, 10g
- Available purity: >97%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | >97% | 1 In Stock | Shanghai | Inquiry |
| 1g | >97% | 1 In Stock | Shanghai | Inquiry |
| 5g | >97% | 1 In Stock | Shenzhen | Inquiry |
| 10g | >97% | 1 In Stock | Shenzhen | Inquiry |
1021919-08-3 / 4-(aminomethyl)cyclohexan-1-ol;hydrochloride
4-(aminomethyl)cyclohexan-1-ol hydrochloride | RefChem:515093 | 891-470-3
Basic Information
CAS
1021919-08-3
Multi CAS
Yes
Molecular Formula
C7H16ClNO
Molecular Weight
165.660000
Exact Mass
165.092042
SMILES
C1CC(CCC1CN)O.Cl
InChI
InChI=1S/C7H15NO.ClH/c8-5-6-1-3-7(9)4-2-6;/h6-7,9H,1-5,8H2;1H
InChIKey
DWWWGZSFABKRSP-UHFFFAOYSA-N
Synonyms
4-(aminomethyl)cyclohexan-1-ol hydrochloride
RefChem:515093
891-470-3
cis-4-(Aminomethyl)cyclohexanol hydrochloride
trans-4-(aminomethyl)cyclohexanol hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
44.27
TPSA
46.25
LogP / Solubility
WLOGP
0.92
MLOGP
0.8
XLogP3
0.92
Consensus LogP
0.88
Log S (ESOL)
-1.38
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.62
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)
-3.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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