CAS RN: 1250405-19-6
N-BENZYL-2-METHYL-1,3-PROPANEDIAMINE
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.20250914 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1250405-19-6
- Purity/Analytical Methods: >99.0%
1250405-19-6 / N'-benzyl-2-methylpropane-1,3-diamine
Basic Information
CAS
1250405-19-6
Multi CAS
No
Molecular Formula
C11H18N2
Molecular Weight
178.270000
Exact Mass
178.146999
SMILES
CC(CN)CNCC1=CC=CC=C1
InChI
InChI=1S/C11H18N2/c1-10(7-12)8-13-9-11-5-3-2-4-6-11/h2-6,10,13H,7-9,12H2,1H3
InChIKey
RICFCTFKNQIVMT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
56.37
TPSA
38.05
LogP / Solubility
WLOGP
1.37
MLOGP
1.2
XLogP3
1.1
Consensus LogP
1.22
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-2.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
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