CAS RN: 19851-44-6
1,3-Bis(dimethylaminomethyl)benzene
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.20250715 | 200μl | Out of stock | 5-7 business days | Inquiry |
- Product code: ICTB4919
- Purity/Analytical Methods: >98.0%(GC)(T)
19851-44-6 / 1-[3-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine
Basic Information
CAS
19851-44-6
Multi CAS
No
Molecular Formula
C12H20N2
Molecular Weight
192.300000
Exact Mass
192.162649
SMILES
CN(C)CC1=CC(=CC=C1)CN(C)C
InChI
InChI=1S/C12H20N2/c1-13(2)9-11-6-5-7-12(8-11)10-14(3)4/h5-8H,9-10H2,1-4H3
InChIKey
OUWLQMIJGBZEME-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
61.22
TPSA
6.48
LogP / Solubility
WLOGP
1.81
MLOGP
1.59
XLogP3
1.6
Consensus LogP
1.67
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
Class (SILICOS-IT)
Moderately 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)
-2.61
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
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501
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