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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1074-62-0 / [4-(aminomethyl)cyclohexyl]methanol
4-(Aminomethyl)cyclohexanemethanol | Cyclohexanemethanol, 4-(aminomethyl)- | DTXSID3061471
Basic Information
CAS
1074-62-0
Multi CAS
Yes
Molecular Formula
C8H17NO
Molecular Weight
143.230000
Exact Mass
143.131014
SMILES
C1CC(CCC1CN)CO
InChI
InChI=1S/C8H17NO/c9-5-7-1-3-8(6-10)4-2-7/h7-8,10H,1-6,9H2
InChIKey
WWDKVICMJWBJKJ-UHFFFAOYSA-N
Synonyms
4-(Aminomethyl)cyclohexanemethanol
Cyclohexanemethanol, 4-(aminomethyl)-
DTXSID3061471
RefChem:129584
DTXCID1033080
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
41.59
TPSA
46.25
LogP / Solubility
WLOGP
0.74
MLOGP
0.65
XLogP3
0.3
Consensus LogP
0.56
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.45
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
1.5
