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: 1000g
- 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 |
|---|---|---|---|---|
| 1000g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
104-19-8 / N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine
1-Piperazineethanamine, N,N,4-trimethyl- | Toyocat NP | Kaolizer 8
Basic Information
CAS
104-19-8
Multi CAS
No
Molecular Formula
C9H21N3
Molecular Weight
171.280000
Exact Mass
171.173548
SMILES
CN1CCN(CC1)CCN(C)C
InChI
InChI=1S/C9H21N3/c1-10(2)4-7-12-8-5-11(3)6-9-12/h4-9H2,1-3H3
InChIKey
XFLSMWXCZBIXLV-UHFFFAOYSA-N
Synonyms
1-Piperazineethanamine, N,N,4-trimethyl-
Toyocat NP
Kaolizer 8
1-(2-(N,N-Dimethylamino)ethyl)-4-methylpiperazine
NSC 79879
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
52.49
TPSA
9.72
LogP / Solubility
WLOGP
-0.2
MLOGP
-0.18
XLogP3
0.1
Consensus LogP
-0.09
Log S (ESOL)
-0.58
Class (ESOL)
Very soluble
Log S (Ali)
-0.82
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.96
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)
-3.91
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)
Corrosive
Acute Toxic
Irritant
Signal
Danger
GHS Hazard Statements
H301 (34.4%): Toxic if swallowed [Danger Acute toxicity, oral]
H302 (65.6%): Harmful if swallowed [Warning Acute toxicity, oral]
H311 (50.8%): Toxic in contact with skin [Danger Acute toxicity, dermal]
H312 (40.2%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H314 (91%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P261, P262, P264, P264+P265, P270, P272, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P361+P364, P362+P364, P363, P405, and P501
