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 | Shanghai | Inquiry |
10340-00-8 / [(1S,3R)-3-(aminomethyl)cyclohexyl]methanamine
1,3-Cyclohexanedimethanamine | 1,3-Bis(aminomethyl)cyclohexane | 1,3-Cyclohexanebis(methylamine)
Basic Information
CAS
10340-00-8
Multi CAS
Yes
Molecular Formula
C8H18N2
Molecular Weight
142.240000
Exact Mass
142.146999
SMILES
C1C[C@H](C[C@H](C1)CN)CN
InChI
InChI=1S/C8H18N2/c9-5-7-2-1-3-8(4-7)6-10/h7-8H,1-6,9-10H2/t7-,8+
InChIKey
QLBRROYTTDFLDX-OCAPTIKFSA-N
Synonyms
1,3-Cyclohexanedimethanamine
1,3-Bis(aminomethyl)cyclohexane
1,3-Cyclohexanebis(methylamine)
Kodak silver halide solvent HS-103
VR58242KKB
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
43.56
TPSA
52.04
LogP / Solubility
WLOGP
0.71
MLOGP
0.62
XLogP3
0.2
Consensus LogP
0.51
Log S (ESOL)
-1.04
Class (ESOL)
Soluble
Log S (Ali)
-1.24
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.41
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
2.5
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]
H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501
